ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate

C19H29N3O4 — CID 8905278

IUPACethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)Nc1ccc([C@@H](C)CC)cc1
InChIInChI=1S/C19H29N3O4/c1-5-14(4)15-8-10-16(11-9-15)20-17(23)12-22(6-2)13-18(24)21-19(25)26-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,23)(H,21,24,25)/t14-/m0/s1
InChIKeyBPTLLZXLDVBSBM-AWEZNQCLSA-N
MW363.46 g/mol
LogP2.73
Rot. Bonds9

About ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate

ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate (PubChem CID 8905278) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate
PubChem CID8905278
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nameethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)Nc1ccc([C@@H](C)CC)cc1
InChIInChI=1S/C19H29N3O4/c1-5-14(4)15-8-10-16(11-9-15)20-17(23)12-22(6-2)13-18(24)21-19(25)26-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,23)(H,21,24,25)/t14-/m0/s1
InChIKeyBPTLLZXLDVBSBM-AWEZNQCLSA-N
XLogP2.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate
CID 8905018
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
ethyl 4-(4-butan-2-ylanilino)-4-oxobutanoate
CID 60637740
ethyl N-[2-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905009
ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate
CID 8905335
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide
CID 112818363
ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905214
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
ethyl N-[2-[ethyl-[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]amino]acetyl]carbamate
CID 8557018
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate (CID 8905278) is ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CC(=O)Nc1ccc([C@@H](C)CC)cc1.
What is the InChIKey of ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The InChIKey is BPTLLZXLDVBSBM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-5-14(4)15-8-10-16(11-9-15)20-17(23)12-22(6-2)13-18(24)21-19(25)26-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,23)(H,21,24,25)/t14-/m0/s1.
What are the key properties of ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate is sourced from PubChem (CID 8905278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).