2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide

C14H18N4O3 — CID 61252820

IUPAC2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H18N4O3/c15-11(7-12(16)19)14(21)18-10-3-1-2-8(6-10)13(20)17-9-4-5-9/h1-3,6,9,11H,4-5,7,15H2,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyNOZKGUWQDDSIRF-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.28
Rot. Bonds6

About 2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide

2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide (PubChem CID 61252820) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide
PubChem CID61252820
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H18N4O3/c15-11(7-12(16)19)14(21)18-10-3-1-2-8(6-10)13(20)17-9-4-5-9/h1-3,6,9,11H,4-5,7,15H2,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyNOZKGUWQDDSIRF-UHFFFAOYSA-N
XLogP-0.28
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-(3-acetamidophenyl)-2-aminobutanediamide
CID 60847053
3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 18127274
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
2-amino-N-(3-ethylphenyl)butanediamide
CID 54928255
3-(1-aminopropan-2-ylamino)-N-cyclopropylbenzamide
CID 103387471
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide?
The IUPAC name of 2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide (CID 61252820) is 2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide.
What is the SMILES notation for 2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide?
The canonical SMILES for 2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide is NC(=O)CC(N)C(=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide?
The InChIKey is NOZKGUWQDDSIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-11(7-12(16)19)14(21)18-10-3-1-2-8(6-10)13(20)17-9-4-5-9/h1-3,6,9,11H,4-5,7,15H2,(H2,16,19)(H,17,20)(H,18,21).
What are the key properties of 2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide?
2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide has a molecular weight of 290.32 g/mol, XLogP of -0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide is sourced from PubChem (CID 61252820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).