3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide

C14H22N2O2 — CID 98784387

IUPAC3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1cc(CNC(=O)CCN)ccc1OC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)18-13-5-4-12(8-11(13)3)9-16-14(17)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyBXKXEDAGNCRACK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.75
Rot. Bonds6

About 3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide

3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 98784387) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID98784387
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1cc(CNC(=O)CCN)ccc1OC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)18-13-5-4-12(8-11(13)3)9-16-14(17)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyBXKXEDAGNCRACK-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide
CID 98784381
2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 110782084
4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
CID 115156704
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
CID 110782111
3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
CID 98783951
3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
CID 98784594
methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate
CID 110788929
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide (CID 98784387) is 3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide is Cc1cc(CNC(=O)CCN)ccc1OC(C)C.
What is the InChIKey of 3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is BXKXEDAGNCRACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)18-13-5-4-12(8-11(13)3)9-16-14(17)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide?
3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 98784387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).