ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate

C19H29N3O4 — CID 8905335

IUPACethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C19H29N3O4/c1-6-22(12-17(24)21-19(25)26-7-2)11-16(23)20-18-14(5)9-8-10-15(18)13(3)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,20,23)(H,21,24,25)
InChIKeySNSPCMZMTVKADF-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.65
Rot. Bonds8

About ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate

ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate (PubChem CID 8905335) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate
PubChem CID8905335
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nameethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C19H29N3O4/c1-6-22(12-17(24)21-19(25)26-7-2)11-16(23)20-18-14(5)9-8-10-15(18)13(3)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,20,23)(H,21,24,25)
InChIKeySNSPCMZMTVKADF-UHFFFAOYSA-N
XLogP2.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108951086
2-[bis(2-methoxyethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 33483586
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 40703481
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905214
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905278
2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8541792
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate (CID 8905335) is ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate?
The InChIKey is SNSPCMZMTVKADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-6-22(12-17(24)21-19(25)26-7-2)11-16(23)20-18-14(5)9-8-10-15(18)13(3)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,20,23)(H,21,24,25).
What are the key properties of ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate?
ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate is sourced from PubChem (CID 8905335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).