tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate

C19H25N3O4 — CID 70890769

IUPACtert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate
SMILESCCOc1ccc(C(=O)NC(C#N)C2(NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H25N3O4/c1-5-25-14-8-6-13(7-9-14)16(23)21-15(12-20)19(10-11-19)22-17(24)26-18(2,3)4/h6-9,15H,5,10-11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyFVINQEHRGPGLOY-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.76
Rot. Bonds6

About tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate

tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate (PubChem CID 70890769) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate
PubChem CID70890769
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nametert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate
SMILESCCOc1ccc(C(=O)NC(C#N)C2(NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H25N3O4/c1-5-25-14-8-6-13(7-9-14)16(23)21-15(12-20)19(10-11-19)22-17(24)26-18(2,3)4/h6-9,15H,5,10-11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyFVINQEHRGPGLOY-UHFFFAOYSA-N
XLogP2.76
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-ethoxybenzoyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoate
CID 89072057
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 89072027
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethoxybenzamide
CID 106355606
(3R)-3-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7062318
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
methyl (2S)-2-[(4-cyanobenzoyl)amino]-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
CID 57214197
tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917328
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777
N-(1-bromobutan-2-yl)-4-ethoxybenzamide
CID 114307651
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate (CID 70890769) is tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate is CCOc1ccc(C(=O)NC(C#N)C2(NC(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate?
The InChIKey is FVINQEHRGPGLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-5-25-14-8-6-13(7-9-14)16(23)21-15(12-20)19(10-11-19)22-17(24)26-18(2,3)4/h6-9,15H,5,10-11H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate?
tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate has a molecular weight of 359.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[cyano-[(4-ethoxybenzoyl)amino]methyl]cyclopropyl]carbamate is sourced from PubChem (CID 70890769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).