2-amino-N-[3-(carbamoylamino)phenyl]butanamide

C11H16N4O2 — CID 43710987

IUPAC2-amino-N-[3-(carbamoylamino)phenyl]butanamide
SMILESCCC(N)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C11H16N4O2/c1-2-9(12)10(16)14-7-4-3-5-8(6-7)15-11(13)17/h3-6,9H,2,12H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyIFDDFZUFHNYOGC-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.85
Rot. Bonds4

About 2-amino-N-[3-(carbamoylamino)phenyl]butanamide

2-amino-N-[3-(carbamoylamino)phenyl]butanamide (PubChem CID 43710987) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-amino-N-[3-(carbamoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[3-(carbamoylamino)phenyl]butanamide
PubChem CID43710987
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-amino-N-[3-(carbamoylamino)phenyl]butanamide
SMILESCCC(N)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C11H16N4O2/c1-2-9(12)10(16)14-7-4-3-5-8(6-7)15-11(13)17/h3-6,9H,2,12H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyIFDDFZUFHNYOGC-UHFFFAOYSA-N
XLogP0.85
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
CID 54862261
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
CID 119262061
N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
CID 55110387
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
N-(3-acetamidophenyl)-2-aminobutanediamide
CID 60847053
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(carbamoylamino)phenyl]butanamide?
The IUPAC name of 2-amino-N-[3-(carbamoylamino)phenyl]butanamide (CID 43710987) is 2-amino-N-[3-(carbamoylamino)phenyl]butanamide.
What is the SMILES notation for 2-amino-N-[3-(carbamoylamino)phenyl]butanamide?
The canonical SMILES for 2-amino-N-[3-(carbamoylamino)phenyl]butanamide is CCC(N)C(=O)Nc1cccc(NC(N)=O)c1.
What is the InChIKey of 2-amino-N-[3-(carbamoylamino)phenyl]butanamide?
The InChIKey is IFDDFZUFHNYOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-9(12)10(16)14-7-4-3-5-8(6-7)15-11(13)17/h3-6,9H,2,12H2,1H3,(H,14,16)(H3,13,15,17).
What are the key properties of 2-amino-N-[3-(carbamoylamino)phenyl]butanamide?
2-amino-N-[3-(carbamoylamino)phenyl]butanamide has a molecular weight of 236.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(carbamoylamino)phenyl]butanamide is sourced from PubChem (CID 43710987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).