(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide

C19H22ClN3O2 — CID 2604070

IUPAC(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide
SMILESNC(=O)N[C@@H](CC(=O)NCCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c20-16-10-8-15(9-11-16)17(23-19(21)25)13-18(24)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,22,24)(H3,21,23,25)/t17-/m0/s1
InChIKeyGBEQNSBIDUQAFN-KRWDZBQOSA-N
MW359.86 g/mol
LogP3.19
Rot. Bonds8

About (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide

(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide (PubChem CID 2604070) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide
PubChem CID2604070
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide
SMILESNC(=O)N[C@@H](CC(=O)NCCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c20-16-10-8-15(9-11-16)17(23-19(21)25)13-18(24)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,22,24)(H3,21,23,25)/t17-/m0/s1
InChIKeyGBEQNSBIDUQAFN-KRWDZBQOSA-N
XLogP3.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.19
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

(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide
CID 42971295
benzyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608690
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
3-(carbamoylamino)-3-phenyl-N-(3-phenylsulfanylpropyl)propanamide
CID 42930634
3-(carbamoylamino)-3-(4-chlorophenyl)-N-prop-2-enylpropanamide
CID 17407749
3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
CID 51256293
3-(3,4-dichlorophenyl)-5-oxo-5-(3-phenylpropylamino)pentanoic acid
CID 70195286
(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 2305123
(2S)-2-amino-4-oxo-4-(3-phenylpropylamino)butanoic acid
CID 67284376
[(1S)-1-phenylethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8606825
(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide
CID 95328053

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide (CID 2604070) is (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide is NC(=O)N[C@@H](CC(=O)NCCCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide?
The InChIKey is GBEQNSBIDUQAFN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-10-8-15(9-11-16)17(23-19(21)25)13-18(24)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,22,24)(H3,21,23,25)/t17-/m0/s1.
What are the key properties of (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide?
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide has a molecular weight of 359.86 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 2604070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).