2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide

C16H24N2O2 — CID 65229389

IUPAC2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)NC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-11(10-17)16(19)18-15(12-4-5-12)13-6-8-14(20-2)9-7-13/h6-9,11-12,15H,3-5,10,17H2,1-2H3,(H,18,19)
InChIKeyKFIRIEANNAXSIU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.25
Rot. Bonds7

About 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide

2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide (PubChem CID 65229389) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
PubChem CID65229389
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)NC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-11(10-17)16(19)18-15(12-4-5-12)13-6-8-14(20-2)9-7-13/h6-9,11-12,15H,3-5,10,17H2,1-2H3,(H,18,19)
InChIKeyKFIRIEANNAXSIU-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 65229390
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
CID 107569374
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide
CID 62837500
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 46509264
2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 60705741
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide (CID 65229389) is 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide is CCC(CN)C(=O)NC(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide?
The InChIKey is KFIRIEANNAXSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-11(10-17)16(19)18-15(12-4-5-12)13-6-8-14(20-2)9-7-13/h6-9,11-12,15H,3-5,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide?
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 65229389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).