2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide

C13H20N4O2 — CID 114929288

IUPAC2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
SMILESNC(=O)NCCNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C13H20N4O2/c14-11(7-6-10-4-2-1-3-5-10)12(18)16-8-9-17-13(15)19/h1-5,11H,6-9,14H2,(H,16,18)(H3,15,17,19)
InChIKeyONKPOLMWSWDCKO-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.27
Rot. Bonds7

About 2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide

2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide (PubChem CID 114929288) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
PubChem CID114929288
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
SMILESNC(=O)NCCNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C13H20N4O2/c14-11(7-6-10-4-2-1-3-5-10)12(18)16-8-9-17-13(15)19/h1-5,11H,6-9,14H2,(H,16,18)(H3,15,17,19)
InChIKeyONKPOLMWSWDCKO-UHFFFAOYSA-N
XLogP-0.27
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-2-amino-4-phenylbutanoyl]amino]ethyl carbamate
CID 104984749
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
(2S)-2-amino-N-[3-(methylamino)-3-oxopropyl]-4-phenylbutanamide
CID 104984281
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
2-amino-N-but-2-ynyl-4-phenylbutanamide
CID 114929350
3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
CID 106276438
2-amino-N-[2-(diethylamino)ethyl]-4-phenylbutanamide
CID 114924642
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
CID 114928129
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 104984289
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide (CID 114929288) is 2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide is NC(=O)NCCNC(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide?
The InChIKey is ONKPOLMWSWDCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-11(7-6-10-4-2-1-3-5-10)12(18)16-8-9-17-13(15)19/h1-5,11H,6-9,14H2,(H,16,18)(H3,15,17,19).
What are the key properties of 2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide?
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide has a molecular weight of 264.33 g/mol, XLogP of -0.27, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 114929288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).