N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane

C25H30N2O2 — CID 144540822

IUPACN-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane
SMILESC.O=C(NCc1ccccc1)C(CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O2.CH4/c27-19-23(24(28)25-16-20-10-4-1-5-11-20)26(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22;/h1-15,23,27H,16-19H2,(H,25,28);1H4
InChIKeyFFFJQWNCARHXEN-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.00
Rot. Bonds9

About N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane

N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane (PubChem CID 144540822) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane.

Molecular Properties

Compound NameN-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane
PubChem CID144540822
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane
SMILESC.O=C(NCc1ccccc1)C(CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O2.CH4/c27-19-23(24(28)25-16-20-10-4-1-5-11-20)26(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22;/h1-15,23,27H,16-19H2,(H,25,28);1H4
InChIKeyFFFJQWNCARHXEN-UHFFFAOYSA-N
XLogP4.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide
CID 71091237
(E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide
CID 20870717
N-benzyl-2-methylpropanamide;methane
CID 160760567
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
N-benzyl-2-[benzyl(propanoyl)amino]propanamide
CID 133148772
2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214013
[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]-tert-butylcarbamic acid
CID 53427567
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214684
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane?
The IUPAC name of N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane (CID 144540822) is N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane.
What is the SMILES notation for N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane?
The canonical SMILES for N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane is C.O=C(NCc1ccccc1)C(CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane?
The InChIKey is FFFJQWNCARHXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2.CH4/c27-19-23(24(28)25-16-20-10-4-1-5-11-20)26(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22;/h1-15,23,27H,16-19H2,(H,25,28);1H4.
What are the key properties of N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane?
N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane has a molecular weight of 390.53 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane is sourced from PubChem (CID 144540822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).