(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide

C18H29N3O3 — CID 94962141

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(OC(C)C)cc1C
InChIInChI=1S/C18H29N3O3/c1-7-13(5)19-17(22)14(6)20-18(23)21-16-9-8-15(10-12(16)4)24-11(2)3/h8-11,13-14H,7H2,1-6H3,(H,19,22)(H2,20,21,23)/t13-,14-/m1/s1
InChIKeyXJHVSIXBNAZONT-ZIAGYGMSSA-N
MW335.45 g/mol
LogP3.21
Rot. Bonds7

About (2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide

(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide (PubChem CID 94962141) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
PubChem CID94962141
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(OC(C)C)cc1C
InChIInChI=1S/C18H29N3O3/c1-7-13(5)19-17(22)14(6)20-18(23)21-16-9-8-15(10-12(16)4)24-11(2)3/h8-11,13-14H,7H2,1-6H3,(H,19,22)(H2,20,21,23)/t13-,14-/m1/s1
InChIKeyXJHVSIXBNAZONT-ZIAGYGMSSA-N
XLogP3.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62727955
(2S)-2-[(4-butoxy-2-methylphenyl)carbamoylamino]-N-ethylpropanamide
CID 95280434
(2R)-2-[(4-butoxy-2-methylphenyl)carbamoylamino]-N-ethylpropanamide
CID 95280435
3-methyl-5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 62966092
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680
(2S,3S)-2-[(4-methoxy-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 62871543
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
2-(ethylamino)-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62836240
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methyl-4-propan-2-yloxyphenyl)urea
CID 95307029
(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002
6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid
CID 60933731
5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 60933969

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide (CID 94962141) is (2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide is CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(OC(C)C)cc1C.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide?
The InChIKey is XJHVSIXBNAZONT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-7-13(5)19-17(22)14(6)20-18(23)21-16-9-8-15(10-12(16)4)24-11(2)3/h8-11,13-14H,7H2,1-6H3,(H,19,22)(H2,20,21,23)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide?
(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide has a molecular weight of 335.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 94962141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).