ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate

C23H29N3O4 — CID 8905436

IUPACethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H29N3O4/c1-3-25(17-21(27)24-23(29)30-4-2)18-22(28)26(15-19-11-7-5-8-12-19)16-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3,(H,24,27,29)
InChIKeyYINWLRSUJNPSDF-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.81
Rot. Bonds10

About ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate

ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate (PubChem CID 8905436) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
PubChem CID8905436
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Nameethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H29N3O4/c1-3-25(17-21(27)24-23(29)30-4-2)18-22(28)26(15-19-11-7-5-8-12-19)16-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3,(H,24,27,29)
InChIKeyYINWLRSUJNPSDF-UHFFFAOYSA-N
XLogP2.81
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate 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

ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate
CID 8792343
ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905214
ethyl N-[2-[ethyl-[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]amino]acetyl]carbamate
CID 8557018
ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate
CID 8799683
ethyl N-(3-phenylpropanoyl)carbamate
CID 141071661
N-benzyl-N-ethyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685771
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 78979113
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate
CID 8905335
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905278

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate (CID 8905436) is ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate?
The InChIKey is YINWLRSUJNPSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-25(17-21(27)24-23(29)30-4-2)18-22(28)26(15-19-11-7-5-8-12-19)16-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3,(H,24,27,29).
What are the key properties of ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate?
ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate has a molecular weight of 411.50 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate is sourced from PubChem (CID 8905436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).