N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine

C47H89N9O9S — CID 158788797

About N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine

N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine (PubChem CID 158788797) has the molecular formula C47H89N9O9S and a molecular weight of 956.35 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine.

Molecular Properties

• Compound Name: N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine
• PubChem CID: 158788797
• Molecular Formula: C47H89N9O9S
• Molecular Weight: 956.35 g/mol
• Exact Mass: 955.65
• IUPAC Name: N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine
• SMILES: CC(C)C(=O)NC1CNC1.CC(C)C(=O)NCCN1CCCC1=O.CC(C)C(=O)NCCN1CCS(=O)(=O)CC1.CC(C)CN.CNC(=O)C(C)C.COc1ccc(NC(=O)C(C)C)cc1
• InChI: InChI=1S/C11H15NO2.C10H20N2O3S.C10H18N2O2.C7H14N2O.C5H11NO.C4H11N/c1-8(2)11(13)12-9-4-6-10(14-3)7-5-9;1-9(2)10(13)11-3-4-12-5-7-16(14,15)8-6-12;1-8(2)10(14)11-5-7-12-6-3-4-9(12)13;1-5(2)7(10)9-6-3-8-4-6;1-4(2)5(7)6-3;1-4(2)3-5/h4-8H,1-3H3,(H,12,13);9H,3-8H2,1-2H3,(H,11,13);8H,3-7H2,1-2H3,(H,11,14);5-6,8H,3-4H2,1-2H3,(H,9,10);4H,1-3H3,(H,6,7);4H,3,5H2,1-2H3
• InChIKey: ISAAKLZMBZKYHW-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 250.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	956.35
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine?

The IUPAC name of N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine (CID 158788797) is N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine.

What is the SMILES notation for N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine?

The canonical SMILES for N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine is CC(C)C(=O)NC1CNC1.CC(C)C(=O)NCCN1CCCC1=O.CC(C)C(=O)NCCN1CCS(=O)(=O)CC1.CC(C)CN.CNC(=O)C(C)C.COc1ccc(NC(=O)C(C)C)cc1.

What is the InChIKey of N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine?

The InChIKey is ISAAKLZMBZKYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C10H20N2O3S.C10H18N2O2.C7H14N2O.C5H11NO.C4H11N/c1-8(2)11(13)12-9-4-6-10(14-3)7-5-9;1-9(2)10(13)11-3-4-12-5-7-16(14,15)8-6-12;1-8(2)10(14)11-5-7-12-6-3-4-9(12)13;1-5(2)7(10)9-6-3-8-4-6;1-4(2)5(7)6-3;1-4(2)3-5/h4-8H,1-3H3,(H,12,13);9H,3-8H2,1-2H3,(H,11,13);8H,3-7H2,1-2H3,(H,11,14);5-6,8H,3-4H2,1-2H3,(H,9,10);4H,1-3H3,(H,6,7);4H,3,5H2,1-2H3.

What are the key properties of N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine?

N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine has a molecular weight of 956.35 g/mol, XLogP of 2.88, 15 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(azetidin-3-yl)-2-methylpropanamide;N,2-dimethylpropanamide;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropanamide;N-(4-methoxyphenyl)-2-methylpropanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methylpropan-1-amine is sourced from PubChem (CID 158788797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).