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

C19H22ClN3O2 — CID 4878036

IUPAC3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide
SMILESNC(=O)NC(CC(=O)NCCCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2/c20-16-11-5-4-10-15(16)17(23-19(21)25)13-18(24)22-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,17H,6,9,12-13H2,(H,22,24)(H3,21,23,25)
InChIKeyQYGAREIVQKMYNX-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.19
Rot. Bonds8

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

3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide (PubChem CID 4878036) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide
PubChem CID4878036
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide
SMILESNC(=O)NC(CC(=O)NCCCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2/c20-16-11-5-4-10-15(16)17(23-19(21)25)13-18(24)22-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,17H,6,9,12-13H2,(H,22,24)(H3,21,23,25)
InChIKeyQYGAREIVQKMYNX-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide (CID 4878036) is 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide is NC(=O)NC(CC(=O)NCCCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide?
The InChIKey is QYGAREIVQKMYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-11-5-4-10-15(16)17(23-19(21)25)13-18(24)22-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,17H,6,9,12-13H2,(H,22,24)(H3,21,23,25).
What are the key properties of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide?
3-(carbamoylamino)-3-(2-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 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 4878036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).