tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate

C19H22ClN3O3 — CID 166212553

IUPACtert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate
SMILESCc1ccncc1NC(=O)C(NC(=O)OC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O3/c1-12-8-9-21-11-15(12)22-17(24)16(13-6-5-7-14(20)10-13)23-18(25)26-19(2,3)4/h5-11,16H,1-4H3,(H,22,24)(H,23,25)
InChIKeyNCBNIOKAYJFBPS-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.25
Rot. Bonds4

About tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate

tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate (PubChem CID 166212553) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate
PubChem CID166212553
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Nametert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate
SMILESCc1ccncc1NC(=O)C(NC(=O)OC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O3/c1-12-8-9-21-11-15(12)22-17(24)16(13-6-5-7-14(20)10-13)23-18(25)26-19(2,3)4/h5-11,16H,1-4H3,(H,22,24)(H,23,25)
InChIKeyNCBNIOKAYJFBPS-UHFFFAOYSA-N
XLogP4.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate
CID 146479429
[2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid
CID 69109296
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetate
CID 26601141
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetic acid
CID 26601142
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]benzoic acid
CID 67042611
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
3-(3-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 146289120
tert-butyl N-[(1S,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]carbamate
CID 89490745
(2S,3S)-3-(3-chlorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7176486
tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate
CID 66832263
tert-butyl N-[(1R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-oxoethyl]carbamate;tert-butyl N-[2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-oxoethyl]carbamate;methane
CID 162245572
tert-butyl N-[1-[1-(3-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107250522

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate (CID 166212553) is tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate is Cc1ccncc1NC(=O)C(NC(=O)OC(C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate?
The InChIKey is NCBNIOKAYJFBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-12-8-9-21-11-15(12)22-17(24)16(13-6-5-7-14(20)10-13)23-18(25)26-19(2,3)4/h5-11,16H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate has a molecular weight of 375.86 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 166212553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).