2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

C18H27N3O2 — CID 9052723

IUPAC2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN(C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-4-13(2)14-5-7-15(8-6-14)19-17(22)11-21(3)12-18(23)20-16-9-10-16/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyKZMPCEHIPNWYRF-ZDUSSCGKSA-N
MW317.43 g/mol
LogP2.35
Rot. Bonds8

About 2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 9052723) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
PubChem CID9052723
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN(C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-4-13(2)14-5-7-15(8-6-14)19-17(22)11-21(3)12-18(23)20-16-9-10-16/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyKZMPCEHIPNWYRF-ZDUSSCGKSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide with MolForge

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Related Compounds

N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide
CID 112818363
N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339207
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42913792
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide
CID 135099106
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053730
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222752
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 86918815

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (CID 9052723) is 2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is CC[C@H](C)c1ccc(NC(=O)CN(C)CC(=O)NC2CC2)cc1.
What is the InChIKey of 2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is KZMPCEHIPNWYRF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-13(2)14-5-7-15(8-6-14)19-17(22)11-21(3)12-18(23)20-16-9-10-16/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of 2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 317.43 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 9052723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).