N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide

C19H21N3O3 — CID 600576

IUPACN-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-17(23)20-16-11-9-15(10-12-16)19(25)22-21-18(24)13-8-14-6-4-3-5-7-14/h3-7,9-12H,2,8,13H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyFETXBPBCIGAROK-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.43
Rot. Bonds6

About N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide

N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide (PubChem CID 600576) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide
PubChem CID600576
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-17(23)20-16-11-9-15(10-12-16)19(25)22-21-18(24)13-8-14-6-4-3-5-7-14/h3-7,9-12H,2,8,13H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyFETXBPBCIGAROK-UHFFFAOYSA-N
XLogP2.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
CID 17201204
acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
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4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
N-[4-(2-oxo-4-phenylbutyl)phenyl]propanamide
CID 157140681
N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848
4-(3-phenylpropanoylamino)benzamide
CID 675903
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide (CID 600576) is N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide?
The InChIKey is FETXBPBCIGAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-17(23)20-16-11-9-15(10-12-16)19(25)22-21-18(24)13-8-14-6-4-3-5-7-14/h3-7,9-12H,2,8,13H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide?
N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide is sourced from PubChem (CID 600576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).