(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide

C13H18ClN3O2 — CID 95328053

IUPAC(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide
SMILESC[C@H](NC(N)=O)C(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O2/c1-9(17-13(15)19)12(18)16-8-2-3-10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,16,18)(H3,15,17,19)/t9-/m0/s1
InChIKeyKDCDXXWAIMKSNO-VIFPVBQESA-N
MW283.76 g/mol
LogP1.45
Rot. Bonds6

About (2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide

(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide (PubChem CID 95328053) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide
PubChem CID95328053
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide
SMILESC[C@H](NC(N)=O)C(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O2/c1-9(17-13(15)19)12(18)16-8-2-3-10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,16,18)(H3,15,17,19)/t9-/m0/s1
InChIKeyKDCDXXWAIMKSNO-VIFPVBQESA-N
XLogP1.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.45
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

(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119408578
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate
CID 23047132
3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 110310771
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 8733082
1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111094459
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide
CID 2604070
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 99999958
(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 119322585

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide (CID 95328053) is (2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide is C[C@H](NC(N)=O)C(=O)NCCCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide?
The InChIKey is KDCDXXWAIMKSNO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9(17-13(15)19)12(18)16-8-2-3-10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,16,18)(H3,15,17,19)/t9-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide?
(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide has a molecular weight of 283.76 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide is sourced from PubChem (CID 95328053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).