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

C12H18N4O2 — CID 43710986

IUPAC2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C12H18N4O2/c1-2-4-10(13)11(17)15-8-5-3-6-9(7-8)16-12(14)18/h3,5-7,10H,2,4,13H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeyGYTVYURTNYBQIM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.24
Rot. Bonds5

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

2-amino-N-[3-(carbamoylamino)phenyl]pentanamide (PubChem CID 43710986) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-N-[3-(carbamoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
PubChem CID43710986
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C12H18N4O2/c1-2-4-10(13)11(17)15-8-5-3-6-9(7-8)16-12(14)18/h3,5-7,10H,2,4,13H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeyGYTVYURTNYBQIM-UHFFFAOYSA-N
XLogP1.24
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
CID 103794052
2-amino-N-(3-nitrophenyl)pentanamide
CID 113223757
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide
CID 119315948

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(carbamoylamino)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(carbamoylamino)phenyl]pentanamide (CID 43710986) is 2-amino-N-[3-(carbamoylamino)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(carbamoylamino)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(carbamoylamino)phenyl]pentanamide is CCCC(N)C(=O)Nc1cccc(NC(N)=O)c1.
What is the InChIKey of 2-amino-N-[3-(carbamoylamino)phenyl]pentanamide?
The InChIKey is GYTVYURTNYBQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-4-10(13)11(17)15-8-5-3-6-9(7-8)16-12(14)18/h3,5-7,10H,2,4,13H2,1H3,(H,15,17)(H3,14,16,18).
What are the key properties of 2-amino-N-[3-(carbamoylamino)phenyl]pentanamide?
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide has a molecular weight of 250.30 g/mol, XLogP of 1.24, 5 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]pentanamide is sourced from PubChem (CID 43710986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).