N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide

C27H30N2O — CID 10949354

IUPACN,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide
SMILESC=CCCN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H30N2O/c1-2-3-19-28(20-24-13-7-4-8-14-24)23-27(30)29(21-25-15-9-5-10-16-25)22-26-17-11-6-12-18-26/h2,4-18H,1,3,19-23H2
InChIKeyGGWYDOKAXDHNLI-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.29
Rot. Bonds11

About N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide

N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide (PubChem CID 10949354) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide
PubChem CID10949354
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC NameN,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide
SMILESC=CCCN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H30N2O/c1-2-3-19-28(20-24-13-7-4-8-14-24)23-27(30)29(21-25-15-9-5-10-16-25)22-26-17-11-6-12-18-26/h2,4-18H,1,3,19-23H2
InChIKeyGGWYDOKAXDHNLI-UHFFFAOYSA-N
XLogP5.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 104694105
N,N-dibenzylbut-3-enamide
CID 134848345
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
N-benzyl-N-but-3-enylbut-2-enamide
CID 72969780
ethyl 2-[benzyl(pent-4-enoyl)amino]acetate
CID 78917941
N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
N-benzyl-N-ethyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685771
benzyl 2-[but-3-enyl(ethyl)amino]acetate
CID 178116001
2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 106511560
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide
CID 102216823

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide?
The IUPAC name of N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide (CID 10949354) is N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide is C=CCCN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide?
The InChIKey is GGWYDOKAXDHNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-2-3-19-28(20-24-13-7-4-8-14-24)23-27(30)29(21-25-15-9-5-10-16-25)22-26-17-11-6-12-18-26/h2,4-18H,1,3,19-23H2.
What are the key properties of N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide?
N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide has a molecular weight of 398.55 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide is sourced from PubChem (CID 10949354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).