N,2-dibenzyl-N'-phenylmethoxypropanediamide

C24H24N2O3 — CID 10691700

IUPACN,2-dibenzyl-N'-phenylmethoxypropanediamide
SMILESO=C(NCc1ccccc1)C(Cc1ccccc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C24H24N2O3/c27-23(25-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)24(28)26-29-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,27)(H,26,28)
InChIKeyAGGUWPSFAYSBPN-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.41
Rot. Bonds9

About N,2-dibenzyl-N'-phenylmethoxypropanediamide

N,2-dibenzyl-N'-phenylmethoxypropanediamide (PubChem CID 10691700) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N,2-dibenzyl-N'-phenylmethoxypropanediamide.

Molecular Properties

Compound NameN,2-dibenzyl-N'-phenylmethoxypropanediamide
PubChem CID10691700
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN,2-dibenzyl-N'-phenylmethoxypropanediamide
SMILESO=C(NCc1ccccc1)C(Cc1ccccc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C24H24N2O3/c27-23(25-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)24(28)26-29-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,27)(H,26,28)
InChIKeyAGGUWPSFAYSBPN-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.41
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

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CID 10709191
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N,2-dibenzyl-N'-hydroxy-N-(2-phenylethyl)propanediamide
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N1-benzyl-N3-hydroxy-2-phenethylmalonamide
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2-benzyl-N-(2,2-diphenyl-ethyl)-N''-hydroxy-malonamide
CID 16115133
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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
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CID 91273862

Frequently Asked Questions

What is the IUPAC name of N,2-dibenzyl-N'-phenylmethoxypropanediamide?
The IUPAC name of N,2-dibenzyl-N'-phenylmethoxypropanediamide (CID 10691700) is N,2-dibenzyl-N'-phenylmethoxypropanediamide.
What is the SMILES notation for N,2-dibenzyl-N'-phenylmethoxypropanediamide?
The canonical SMILES for N,2-dibenzyl-N'-phenylmethoxypropanediamide is O=C(NCc1ccccc1)C(Cc1ccccc1)C(=O)NOCc1ccccc1.
What is the InChIKey of N,2-dibenzyl-N'-phenylmethoxypropanediamide?
The InChIKey is AGGUWPSFAYSBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-23(25-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)24(28)26-29-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,27)(H,26,28).
What are the key properties of N,2-dibenzyl-N'-phenylmethoxypropanediamide?
N,2-dibenzyl-N'-phenylmethoxypropanediamide has a molecular weight of 388.47 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dibenzyl-N'-phenylmethoxypropanediamide is sourced from PubChem (CID 10691700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).