N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide

C15H23N3O2 — CID 60971680

IUPACN-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
SMILESCCC(C)NC(=O)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-12(2)18-15(20)11-16-10-14(19)17-9-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWKPPNGFAVLLCBE-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.81
Rot. Bonds8

About N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide

N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide (PubChem CID 60971680) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
PubChem CID60971680
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
SMILESCCC(C)NC(=O)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-12(2)18-15(20)11-16-10-14(19)17-9-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWKPPNGFAVLLCBE-UHFFFAOYSA-N
XLogP0.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-butan-2-ylurea
CID 10512480
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341
N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65036205
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
CID 43545529
N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851864
ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate
CID 64669138
N'-butan-2-yl-N-[(3-methylphenyl)methyl]propanediamide
CID 108941756
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108505

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide (CID 60971680) is N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide is CCC(C)NC(=O)CNCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is WKPPNGFAVLLCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12(2)18-15(20)11-16-10-14(19)17-9-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide?
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 60971680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).