N'-cyclopropyl-2-(3-methoxyanilino)butanediamide

C14H19N3O3 — CID 66429794

IUPACN'-cyclopropyl-2-(3-methoxyanilino)butanediamide
SMILESCOc1cccc(NC(CC(=O)NC2CC2)C(N)=O)c1
InChIInChI=1S/C14H19N3O3/c1-20-11-4-2-3-10(7-11)16-12(14(15)19)8-13(18)17-9-5-6-9/h2-4,7,9,12,16H,5-6,8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyATBQSKYKRYRWFI-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.63
Rot. Bonds7

About N'-cyclopropyl-2-(3-methoxyanilino)butanediamide

N'-cyclopropyl-2-(3-methoxyanilino)butanediamide (PubChem CID 66429794) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-cyclopropyl-2-(3-methoxyanilino)butanediamide.

Molecular Properties

Compound NameN'-cyclopropyl-2-(3-methoxyanilino)butanediamide
PubChem CID66429794
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-cyclopropyl-2-(3-methoxyanilino)butanediamide
SMILESCOc1cccc(NC(CC(=O)NC2CC2)C(N)=O)c1
InChIInChI=1S/C14H19N3O3/c1-20-11-4-2-3-10(7-11)16-12(14(15)19)8-13(18)17-9-5-6-9/h2-4,7,9,12,16H,5-6,8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyATBQSKYKRYRWFI-UHFFFAOYSA-N
XLogP0.63
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyanilino)-N',N'-dimethylbutanediamide
CID 66430043
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N'-cyclopropyl-2-(2-fluoroanilino)butanediamide
CID 66429998
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
CID 8555404
ethyl 4-[[2-(3-methoxyanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003753
2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide
CID 82838220
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-(3-methoxyanilino)butanediamide?
The IUPAC name of N'-cyclopropyl-2-(3-methoxyanilino)butanediamide (CID 66429794) is N'-cyclopropyl-2-(3-methoxyanilino)butanediamide.
What is the SMILES notation for N'-cyclopropyl-2-(3-methoxyanilino)butanediamide?
The canonical SMILES for N'-cyclopropyl-2-(3-methoxyanilino)butanediamide is COc1cccc(NC(CC(=O)NC2CC2)C(N)=O)c1.
What is the InChIKey of N'-cyclopropyl-2-(3-methoxyanilino)butanediamide?
The InChIKey is ATBQSKYKRYRWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-11-4-2-3-10(7-11)16-12(14(15)19)8-13(18)17-9-5-6-9/h2-4,7,9,12,16H,5-6,8H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of N'-cyclopropyl-2-(3-methoxyanilino)butanediamide?
N'-cyclopropyl-2-(3-methoxyanilino)butanediamide has a molecular weight of 277.32 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-(3-methoxyanilino)butanediamide is sourced from PubChem (CID 66429794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).