(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide

C13H19N3O2 — CID 94187133

IUPAC(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
SMILESC[C@@H](NC(N)=O)C(=O)NCCCc1ccccc1
InChIInChI=1S/C13H19N3O2/c1-10(16-13(14)18)12(17)15-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17)(H3,14,16,18)/t10-/m1/s1
InChIKeyWQRVBJPFIGYZQX-SNVBAGLBSA-N
MW249.31 g/mol
LogP0.79
Rot. Bonds6

About (2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide

(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide (PubChem CID 94187133) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
PubChem CID94187133
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
SMILESC[C@@H](NC(N)=O)C(=O)NCCCc1ccccc1
InChIInChI=1S/C13H19N3O2/c1-10(16-13(14)18)12(17)15-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17)(H3,14,16,18)/t10-/m1/s1
InChIKeyWQRVBJPFIGYZQX-SNVBAGLBSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide
CID 95328053
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
3-phenylpropylurea;hydrochloride
CID 174579396
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024
(2R)-2-amino-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 154152987
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide (CID 94187133) is (2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide is C[C@@H](NC(N)=O)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide?
The InChIKey is WQRVBJPFIGYZQX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(16-13(14)18)12(17)15-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17)(H3,14,16,18)/t10-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide?
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 94187133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).