N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide

C28H31N3O4 — CID 10672155

IUPACN-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide
SMILESCC(C)CC(C(=O)NOCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C28H31N3O4/c1-20(2)17-24(28(34)31-35-19-22-13-7-4-8-14-22)27(33)30-25-16-10-9-15-23(25)26(32)29-18-21-11-5-3-6-12-21/h3-16,20,24H,17-19H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyJMKOIINLKFIRIH-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.47
Rot. Bonds11

About N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide

N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide (PubChem CID 10672155) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide
PubChem CID10672155
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide
SMILESCC(C)CC(C(=O)NOCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C28H31N3O4/c1-20(2)17-24(28(34)31-35-19-22-13-7-4-8-14-22)27(33)30-25-16-10-9-15-23(25)26(32)29-18-21-11-5-3-6-12-21/h3-16,20,24H,17-19H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyJMKOIINLKFIRIH-UHFFFAOYSA-N
XLogP4.47
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide
CID 10717280
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate
CID 10402138
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide
CID 17320785
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
CID 9015181
2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide
CID 60668454
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
CID 3596364
2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide
CID 24710893
2-hydroxy-5-methyl-N-phenylmethoxyhexanamide
CID 174417075

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide?
The IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide (CID 10672155) is N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide is CC(C)CC(C(=O)NOCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide?
The InChIKey is JMKOIINLKFIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-20(2)17-24(28(34)31-35-19-22-13-7-4-8-14-22)27(33)30-25-16-10-9-15-23(25)26(32)29-18-21-11-5-3-6-12-21/h3-16,20,24H,17-19H2,1-2H3,(H,29,32)(H,30,33)(H,31,34).
What are the key properties of N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide?
N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide has a molecular weight of 473.57 g/mol, XLogP of 4.47, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide is sourced from PubChem (CID 10672155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).