ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate

C19H21N3O5 — CID 110178338

IUPACethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)Nc2cccc(NC(=O)OCC)c2)cc1
InChIInChI=1S/C19H21N3O5/c1-3-26-18(24)21-14-10-8-13(9-11-14)17(23)20-15-6-5-7-16(12-15)22-19(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRKZAQOHPHONXDO-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.08
Rot. Bonds6

About ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate

ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate (PubChem CID 110178338) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
PubChem CID110178338
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Nameethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)Nc2cccc(NC(=O)OCC)c2)cc1
InChIInChI=1S/C19H21N3O5/c1-3-26-18(24)21-14-10-8-13(9-11-14)17(23)20-15-6-5-7-16(12-15)22-19(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRKZAQOHPHONXDO-UHFFFAOYSA-N
XLogP4.08
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
CID 46580788
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9206955
ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate
CID 847946
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
CID 9210948
benzyl N-[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]phenyl]carbamate
CID 138515500
ethyl N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9038153
ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 9159193
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate (CID 110178338) is ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)Nc2cccc(NC(=O)OCC)c2)cc1.
What is the InChIKey of ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate?
The InChIKey is RKZAQOHPHONXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-3-26-18(24)21-14-10-8-13(9-11-14)17(23)20-15-6-5-7-16(12-15)22-19(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate?
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate has a molecular weight of 371.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate is sourced from PubChem (CID 110178338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).