(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide

C19H31N3O2 — CID 9129594

IUPAC(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-12(2)16(21-13(3)17(23)22-18(24)20-7)14-8-10-15(11-9-14)19(4,5)6/h8-13,16,21H,1-7H3,(H2,20,22,23,24)/t13-,16-/m1/s1
InChIKeyHRLUCANMIXVJHE-CZUORRHYSA-N
MW333.48 g/mol
LogP3.11
Rot. Bonds5

About (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide

(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 9129594) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID9129594
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-12(2)16(21-13(3)17(23)22-18(24)20-7)14-8-10-15(11-9-14)19(4,5)6/h8-13,16,21H,1-7H3,(H2,20,22,23,24)/t13-,16-/m1/s1
InChIKeyHRLUCANMIXVJHE-CZUORRHYSA-N
XLogP3.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-carbamoylpropanamide
CID 9129644
methyl N-[(2R)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate
CID 9129796
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
CID 8992288
(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
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
(2S)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9129665
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115574031
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 8919781

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide (CID 9129594) is (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is HRLUCANMIXVJHE-CZUORRHYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-12(2)16(21-13(3)17(23)22-18(24)20-7)14-8-10-15(11-9-14)19(4,5)6/h8-13,16,21H,1-7H3,(H2,20,22,23,24)/t13-,16-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide?
(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 9129594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).