N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide

C25H26N2O3 — CID 10787300

IUPACN-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide
SMILESO=C(NCc1ccccc1)C(CCc1ccccc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C25H26N2O3/c28-24(26-18-21-12-6-2-7-13-21)23(17-16-20-10-4-1-5-11-20)25(29)27-30-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,26,28)(H,27,29)
InChIKeyNNAQCGPQCSQHLJ-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.80
Rot. Bonds10

About N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide

N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide (PubChem CID 10787300) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide.

Molecular Properties

Compound NameN-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide
PubChem CID10787300
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide
SMILESO=C(NCc1ccccc1)C(CCc1ccccc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C25H26N2O3/c28-24(26-18-21-12-6-2-7-13-21)23(17-16-20-10-4-1-5-11-20)25(29)27-30-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,26,28)(H,27,29)
InChIKeyNNAQCGPQCSQHLJ-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N1,2-dibenzyl-N3-hydroxymalonamide
CID 10709191
[3-[2-[(1-Benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]methyl nitrate
CID 156010039
N,2-dibenzyl-N'-hydroxy-N-(2-phenylethyl)propanediamide
CID 16114768
N1-benzyl-N3-hydroxy-2-phenethylmalonamide
CID 10662922
2-benzyl-N-(2,2-diphenyl-ethyl)-N''-hydroxy-malonamide
CID 16115133
2-benzyl-N-biphenyl-3-ylmethyl-N''-hydroxy-malonamide
CID 16115134
1-(Benzyloxy)-4-hydroxy-6-phenyl-5,6-dihydropyrimidin-2(1H)-one
CID 207436
n-Benzyl-n-benzyloxy-2-(4-isopropylphenyl)propanamide
CID 44297789
N-benzyl-2,2-difluoro-3-oxo-5-phenyl-4-[[(2S)-2-(phenylmethoxyamino)pentanoyl]amino]pentanamide
CID 53795803
2-[[2-Benzyl-3-[[2-(4-fluorophenyl)acetyl]-phenylmethoxyamino]propanoyl]amino]acetic acid
CID 56626858
2-[[2-Benzyl-4-[(4-fluorophenyl)methyl-phenylmethoxyamino]-4-oxobutanoyl]amino]acetic acid
CID 56629939
4,4-bis(4-fluorophenyl)-1-[4-(phenylmethoxyamino)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 91273862

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide?
The IUPAC name of N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide (CID 10787300) is N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide.
What is the SMILES notation for N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide?
The canonical SMILES for N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide is O=C(NCc1ccccc1)C(CCc1ccccc1)C(=O)NOCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide?
The InChIKey is NNAQCGPQCSQHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-24(26-18-21-12-6-2-7-13-21)23(17-16-20-10-4-1-5-11-20)25(29)27-30-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,26,28)(H,27,29).
What are the key properties of N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide?
N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide has a molecular weight of 402.49 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-phenylethyl)-N'-phenylmethoxypropanediamide is sourced from PubChem (CID 10787300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).