4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide

C16H24N2O — CID 80543130

IUPAC4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CN(C(=O)C(C)CCN)C2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-3-5-14(6-4-12)11-18(15-7-8-15)16(19)13(2)9-10-17/h3-6,13,15H,7-11,17H2,1-2H3
InChIKeyAQSKMIOKSHJFMQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.47
Rot. Bonds6

About 4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide

4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 80543130) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
PubChem CID80543130
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CN(C(=O)C(C)CCN)C2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-3-5-14(6-4-12)11-18(15-7-8-15)16(19)13(2)9-10-17/h3-6,13,15H,7-11,17H2,1-2H3
InChIKeyAQSKMIOKSHJFMQ-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 97157102
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 76895294
4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid
CID 64890090
4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 80543102
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 65230166
2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60948626
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
CID 61163913

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide (CID 80543130) is 4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide is Cc1ccc(CN(C(=O)C(C)CCN)C2CC2)cc1.
What is the InChIKey of 4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is AQSKMIOKSHJFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-3-5-14(6-4-12)11-18(15-7-8-15)16(19)13(2)9-10-17/h3-6,13,15H,7-11,17H2,1-2H3.
What are the key properties of 4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide?
4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 80543130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).