ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate

C19H23N3O5 — CID 110178963

IUPACethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccccc2OC)c(NC(=O)OCC)c1
InChIInChI=1S/C19H23N3O5/c1-4-26-18(23)20-13-10-11-14(16(12-13)22-19(24)27-5-2)21-15-8-6-7-9-17(15)25-3/h6-12,21H,4-5H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyHHCGSBYXKCRTGB-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.58
Rot. Bonds7

About ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate

ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate (PubChem CID 110178963) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate
PubChem CID110178963
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nameethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccccc2OC)c(NC(=O)OCC)c1
InChIInChI=1S/C19H23N3O5/c1-4-26-18(23)20-13-10-11-14(16(12-13)22-19(24)27-5-2)21-15-8-6-7-9-17(15)25-3/h6-12,21H,4-5H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyHHCGSBYXKCRTGB-UHFFFAOYSA-N
XLogP4.58
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[4-methoxy-3-(methylamino)phenyl]carbamate
CID 163895586
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
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ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate
CID 134096042
ethyl N-(2-anilino-4-methoxyphenyl)carbamate
CID 12930176
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
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ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987218
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-(4-formyl-3-methoxyphenyl)carbamate
CID 19765047
ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113019994
ethyl 2-[3-[(2-ethoxy-2-oxoacetyl)amino]-4-methoxyanilino]-2-oxoacetate
CID 12897325

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate (CID 110178963) is ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate is CCOC(=O)Nc1ccc(Nc2ccccc2OC)c(NC(=O)OCC)c1.
What is the InChIKey of ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate?
The InChIKey is HHCGSBYXKCRTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-4-26-18(23)20-13-10-11-14(16(12-13)22-19(24)27-5-2)21-15-8-6-7-9-17(15)25-3/h6-12,21H,4-5H2,1-3H3,(H,20,23)(H,22,24).
What are the key properties of ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate?
ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate has a molecular weight of 373.41 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate is sourced from PubChem (CID 110178963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).