4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide

C20H30N2O3 — CID 135350899

IUPAC4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OC(C)C)c1)C(C)(C)C
InChIInChI=1S/C20H30N2O3/c1-12(2)25-16-11-14(9-10-15(16)13-7-8-13)18(23)22-17(19(24)21-6)20(3,4)5/h9-13,17H,7-8H2,1-6H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyMWXFDPKROQVDGI-QGZVFWFLSA-N
MW346.47 g/mol
LogP3.24
Rot. Bonds6

About 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide

4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide (PubChem CID 135350899) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide
PubChem CID135350899
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OC(C)C)c1)C(C)(C)C
InChIInChI=1S/C20H30N2O3/c1-12(2)25-16-11-14(9-10-15(16)13-7-8-13)18(23)22-17(19(24)21-6)20(3,4)5/h9-13,17H,7-8H2,1-6H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyMWXFDPKROQVDGI-QGZVFWFLSA-N
XLogP3.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide
CID 135350898
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 71087382
5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204511
(3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide
CID 160992825
4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide
CID 129216412
(2R)-2-[(3,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926824
4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid
CID 171115826
N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197512
3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
CID 169452672
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide
CID 175412561
(2S)-1-(4-cyclopropyl-3-propan-2-yloxybenzoyl)-4,4-difluoropyrrolidine-2-carboxamide
CID 129216413
4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide
CID 129216320

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide?
The IUPAC name of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide (CID 135350899) is 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide?
The canonical SMILES for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide is CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OC(C)C)c1)C(C)(C)C.
What is the InChIKey of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide?
The InChIKey is MWXFDPKROQVDGI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-12(2)25-16-11-14(9-10-15(16)13-7-8-13)18(23)22-17(19(24)21-6)20(3,4)5/h9-13,17H,7-8H2,1-6H3,(H,21,24)(H,22,23)/t17-/m1/s1.
What are the key properties of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide?
4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide has a molecular weight of 346.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 135350899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).