2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide

C15H22N2O2 — CID 54872454

IUPAC2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCCC(N)C(=O)N(Cc1ccccc1OC)C1CC1
InChIInChI=1S/C15H22N2O2/c1-3-13(16)15(18)17(12-8-9-12)10-11-6-4-5-7-14(11)19-2/h4-7,12-13H,3,8-10,16H2,1-2H3
InChIKeyJXKBOCXDKYTALM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.92
Rot. Bonds6

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

2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide (PubChem CID 54872454) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
PubChem CID54872454
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCCC(N)C(=O)N(Cc1ccccc1OC)C1CC1
InChIInChI=1S/C15H22N2O2/c1-3-13(16)15(18)17(12-8-9-12)10-11-6-4-5-7-14(11)19-2/h4-7,12-13H,3,8-10,16H2,1-2H3
InChIKeyJXKBOCXDKYTALM-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 87027506
4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025051
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901159
N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide (CID 54872454) is 2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide is CCC(N)C(=O)N(Cc1ccccc1OC)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide?
The InChIKey is JXKBOCXDKYTALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-13(16)15(18)17(12-8-9-12)10-11-6-4-5-7-14(11)19-2/h4-7,12-13H,3,8-10,16H2,1-2H3.
What are the key properties of 2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide?
2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide has a molecular weight of 262.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 54872454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).