methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate

C19H30N2O3 — CID 9129796

IUPACmethyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@@H](C)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H30N2O3/c1-12(2)16(20-13(3)17(22)21-18(23)24-7)14-8-10-15(11-9-14)19(4,5)6/h8-13,16,20H,1-7H3,(H,21,22,23)/t13-,16+/m1/s1
InChIKeyNVCWGADKUGSTBE-CJNGLKHVSA-N
MW334.46 g/mol
LogP3.54
Rot. Bonds5

About methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate

methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate (PubChem CID 9129796) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate
PubChem CID9129796
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Namemethyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@@H](C)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H30N2O3/c1-12(2)16(20-13(3)17(22)21-18(23)24-7)14-8-10-15(11-9-14)19(4,5)6/h8-13,16,20H,1-7H3,(H,21,22,23)/t13-,16+/m1/s1
InChIKeyNVCWGADKUGSTBE-CJNGLKHVSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-carbamoylpropanamide
CID 9129644
(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
CID 9129594
(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide
CID 9129614
4-[[(2S)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]amino]benzamide
CID 9129619
(2S)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9129665
methyl N-[(2S)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]propanoyl]carbamate
CID 9001749
methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155
(2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide
CID 8970695
2-[(2-methyl-1-phenylpropyl)amino]-N-propan-2-ylpropanamide
CID 112683279
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide
CID 8923032
methyl N-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]carbamate
CID 8923650
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 30906945

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate?
The IUPAC name of methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate (CID 9129796) is methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate.
What is the SMILES notation for methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate?
The canonical SMILES for methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate is COC(=O)NC(=O)[C@@H](C)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate?
The InChIKey is NVCWGADKUGSTBE-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-12(2)16(20-13(3)17(22)21-18(23)24-7)14-8-10-15(11-9-14)19(4,5)6/h8-13,16,20H,1-7H3,(H,21,22,23)/t13-,16+/m1/s1.
What are the key properties of methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate?
methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate is sourced from PubChem (CID 9129796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).