4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide

C14H20N2O2 — CID 112515974

IUPAC4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(C(CCN)C(=O)NC2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-12-4-2-3-10(9-12)13(7-8-15)14(17)16-11-5-6-11/h2-4,9,11,13H,5-8,15H2,1H3,(H,16,17)
InChIKeyNMGGNWDINOPYHB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.41
Rot. Bonds6

About 4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide

4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide (PubChem CID 112515974) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide
PubChem CID112515974
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(C(CCN)C(=O)NC2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-12-4-2-3-10(9-12)13(7-8-15)14(17)16-11-5-6-11/h2-4,9,11,13H,5-8,15H2,1H3,(H,16,17)
InChIKeyNMGGNWDINOPYHB-UHFFFAOYSA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112511837
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CID 73168551
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023538
methyl 4-(3-methoxyphenyl)-5-oxohexanoate
CID 11770832
4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 23570880
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373008
N-cyclopropyl-3-methoxybenzamide
CID 900156

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide (CID 112515974) is 4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide is COc1cccc(C(CCN)C(=O)NC2CC2)c1.
What is the InChIKey of 4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide?
The InChIKey is NMGGNWDINOPYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-12-4-2-3-10(9-12)13(7-8-15)14(17)16-11-5-6-11/h2-4,9,11,13H,5-8,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide?
4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide has a molecular weight of 248.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 112515974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).