2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide

C17H26N2O2 — CID 65229390

IUPAC2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(C(NC(=O)C(CN)C(C)C)C2CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-11(2)15(10-18)17(20)19-16(12-4-5-12)13-6-8-14(21-3)9-7-13/h6-9,11-12,15-16H,4-5,10,18H2,1-3H3,(H,19,20)
InChIKeyJSCXGZWZASMTIW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds7

About 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide

2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide (PubChem CID 65229390) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
PubChem CID65229390
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(C(NC(=O)C(CN)C(C)C)C2CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-11(2)15(10-18)17(20)19-16(12-4-5-12)13-6-8-14(21-3)9-7-13/h6-9,11-12,15-16H,4-5,10,18H2,1-3H3,(H,19,20)
InChIKeyJSCXGZWZASMTIW-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 65229389
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide
CID 62837500
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
CID 107569374
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218
N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 46509264
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 115575468
2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 60705741

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide (CID 65229390) is 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide is COc1ccc(C(NC(=O)C(CN)C(C)C)C2CC2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is JSCXGZWZASMTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)15(10-18)17(20)19-16(12-4-5-12)13-6-8-14(21-3)9-7-13/h6-9,11-12,15-16H,4-5,10,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide?
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.49, 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]-3-methylbutanamide is sourced from PubChem (CID 65229390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).