2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide

C17H19N3O3 — CID 4638854

IUPAC2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(NC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(19-17(18)22)16(21)20-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21)(H3,18,19,22)
InChIKeyHCEIOBBVDGWTKR-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.26
Rot. Bonds6

About 2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide

2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 4638854) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID4638854
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(NC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(19-17(18)22)16(21)20-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21)(H3,18,19,22)
InChIKeyHCEIOBBVDGWTKR-UHFFFAOYSA-N
XLogP2.26
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide
CID 4781913
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 18159437
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
CID 154774074
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] (3S)-3-phenylbutanoate
CID 7227844
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
2-(1,3-benzodioxol-5-ylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 71903508

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide (CID 4638854) is 2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide is CC(NC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is HCEIOBBVDGWTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(19-17(18)22)16(21)20-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21)(H3,18,19,22).
What are the key properties of 2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 313.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 4638854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).