N,N-dibenzyl-2-(2-phenylethylamino)butanamide

C26H30N2O — CID 164667444

IUPACN,N-dibenzyl-2-(2-phenylethylamino)butanamide
SMILESCCC(NCCc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H30N2O/c1-2-25(27-19-18-22-12-6-3-7-13-22)26(29)28(20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h3-17,25,27H,2,18-21H2,1H3
InChIKeyRGEHDZSDOUPDAL-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.83
Rot. Bonds10

About N,N-dibenzyl-2-(2-phenylethylamino)butanamide

N,N-dibenzyl-2-(2-phenylethylamino)butanamide (PubChem CID 164667444) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is N,N-dibenzyl-2-(2-phenylethylamino)butanamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(2-phenylethylamino)butanamide
PubChem CID164667444
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC NameN,N-dibenzyl-2-(2-phenylethylamino)butanamide
SMILESCCC(NCCc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H30N2O/c1-2-25(27-19-18-22-12-6-3-7-13-22)26(29)28(20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h3-17,25,27H,2,18-21H2,1H3
InChIKeyRGEHDZSDOUPDAL-UHFFFAOYSA-N
XLogP4.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
CID 69016992
(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
CID 70101907
(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
CID 141046981
N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 166510435
(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide
CID 92682333
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
2-(2-phenylethylamino)butan-1-ol
CID 17157372
N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide
CID 109013097
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(2-phenylethylamino)butanamide?
The IUPAC name of N,N-dibenzyl-2-(2-phenylethylamino)butanamide (CID 164667444) is N,N-dibenzyl-2-(2-phenylethylamino)butanamide.
What is the SMILES notation for N,N-dibenzyl-2-(2-phenylethylamino)butanamide?
The canonical SMILES for N,N-dibenzyl-2-(2-phenylethylamino)butanamide is CCC(NCCc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(2-phenylethylamino)butanamide?
The InChIKey is RGEHDZSDOUPDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-2-25(27-19-18-22-12-6-3-7-13-22)26(29)28(20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h3-17,25,27H,2,18-21H2,1H3.
What are the key properties of N,N-dibenzyl-2-(2-phenylethylamino)butanamide?
N,N-dibenzyl-2-(2-phenylethylamino)butanamide has a molecular weight of 386.54 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(2-phenylethylamino)butanamide is sourced from PubChem (CID 164667444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).