propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

C20H24N2O3 — CID 142869177

IUPACpropan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCc1ccccc1NC(=O)C(Cc1ccccc1)NC(=O)OC(C)C
InChIInChI=1S/C20H24N2O3/c1-14(2)25-20(24)22-18(13-16-10-5-4-6-11-16)19(23)21-17-12-8-7-9-15(17)3/h4-12,14,18H,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKBUNVXBDHQNRKT-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.68
Rot. Bonds6

About propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 142869177) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID142869177
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namepropan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCc1ccccc1NC(=O)C(Cc1ccccc1)NC(=O)OC(C)C
InChIInChI=1S/C20H24N2O3/c1-14(2)25-20(24)22-18(13-16-10-5-4-6-11-16)19(23)21-17-12-8-7-9-15(17)3/h4-12,14,18H,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKBUNVXBDHQNRKT-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 94183054
propan-2-yl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
CID 18391315
tert-butyl N-[1-oxo-3-phenyl-1-(2-propan-2-ylanilino)propan-2-yl]carbamate
CID 134100809
tert-butyl N-[1-[butan-2-yl-[2-(2-methylanilino)-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 18216187
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
tert-butyl N-[1-[[2-(2-methylanilino)-1-(4-methylphenyl)-2-oxoethyl]-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 18214822
ethyl (2R)-2-benzyl-3-(2-methylanilino)-3-oxopropanoate
CID 2288463
tert-butyl N-[1-[[1-(3,4-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 18214987
2-methylpropyl 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]benzoate
CID 91699658
N-[3-(3,4-dihydroxyphenyl)-1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 118296421
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide
CID 28540720
tert-butyl N-[1-[tert-butyl-[1-(4-ethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 18215767

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate (CID 142869177) is propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate is Cc1ccccc1NC(=O)C(Cc1ccccc1)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is KBUNVXBDHQNRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)25-20(24)22-18(13-16-10-5-4-6-11-16)19(23)21-17-12-8-7-9-15(17)3/h4-12,14,18H,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 142869177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).