ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate

C20H24ClN3O3 — CID 86824957

IUPACethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NCC(=O)NC(C)c2ccccc2Cl)c1C
InChIInChI=1S/C20H24ClN3O3/c1-4-27-20(26)24-18-11-7-10-17(13(18)2)22-12-19(25)23-14(3)15-8-5-6-9-16(15)21/h5-11,14,22H,4,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyLDTNNGYIHIKNQP-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.51
Rot. Bonds7

About ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate

ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate (PubChem CID 86824957) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate
PubChem CID86824957
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Nameethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NCC(=O)NC(C)c2ccccc2Cl)c1C
InChIInChI=1S/C20H24ClN3O3/c1-4-27-20(26)24-18-11-7-10-17(13(18)2)22-12-19(25)23-14(3)15-8-5-6-9-16(15)21/h5-11,14,22H,4,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyLDTNNGYIHIKNQP-UHFFFAOYSA-N
XLogP4.51
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 86930913
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31666442
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773224
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 46800821
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54844752
2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54812884

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate?
The IUPAC name of ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate (CID 86824957) is ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate?
The canonical SMILES for ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate is CCOC(=O)Nc1cccc(NCC(=O)NC(C)c2ccccc2Cl)c1C.
What is the InChIKey of ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate?
The InChIKey is LDTNNGYIHIKNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-4-27-20(26)24-18-11-7-10-17(13(18)2)22-12-19(25)23-14(3)15-8-5-6-9-16(15)21/h5-11,14,22H,4,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate?
ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate has a molecular weight of 389.88 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate is sourced from PubChem (CID 86824957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).