3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide

C16H26N2O — CID 115154989

IUPAC3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
SMILESCc1ccc(C(C)C)cc1CNC(=O)CC(C)(C)N
InChIInChI=1S/C16H26N2O/c1-11(2)13-7-6-12(3)14(8-13)10-18-15(19)9-16(4,5)17/h6-8,11H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyPBSMVJHYJFZRGS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.86
Rot. Bonds5

About 3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide

3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide (PubChem CID 115154989) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
PubChem CID115154989
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
SMILESCc1ccc(C(C)C)cc1CNC(=O)CC(C)(C)N
InChIInChI=1S/C16H26N2O/c1-11(2)13-7-6-12(3)14(8-13)10-18-15(19)9-16(4,5)17/h6-8,11H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyPBSMVJHYJFZRGS-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175661
2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115186987
3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide
CID 115154967
2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115188310
3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 64683934
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
CID 115154960
3-[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163540
diethyl 2-methyl-2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanedioate
CID 599928
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-3-(methylamino)propanamide
CID 115153227
2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
CID 115180083

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide (CID 115154989) is 3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide is Cc1ccc(C(C)C)cc1CNC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
The InChIKey is PBSMVJHYJFZRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)13-7-6-12(3)14(8-13)10-18-15(19)9-16(4,5)17/h6-8,11H,9-10,17H2,1-5H3,(H,18,19).
What are the key properties of 3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide is sourced from PubChem (CID 115154989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).