N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide

C18H28N2O — CID 112818363

IUPACN-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN(C(C)C)C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-5-14(4)15-6-8-16(9-7-15)19-18(21)12-20(13(2)3)17-10-11-17/h6-9,13-14,17H,5,10-12H2,1-4H3,(H,19,21)
InChIKeyXJKTVLSWUJYFII-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.01
Rot. Bonds7

About N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide

N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide (PubChem CID 112818363) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide
PubChem CID112818363
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN(C(C)C)C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-5-14(4)15-6-8-16(9-7-15)19-18(21)12-20(13(2)3)17-10-11-17/h6-9,13-14,17H,5,10-12H2,1-4H3,(H,19,21)
InChIKeyXJKTVLSWUJYFII-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9052723
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113158405
N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339207
2-[cyclopropyl-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]amino]propanoic acid
CID 122100893
ethyl (E)-3-[4-[[2-[cyclopentyl(propan-2-yl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 56570012
ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905278
N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113960
2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7666250
2-[cyclopropyl-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl]amino]propanoic acid
CID 122100767

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide (CID 112818363) is N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide is CCC(C)c1ccc(NC(=O)CN(C(C)C)C2CC2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide?
The InChIKey is XJKTVLSWUJYFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-14(4)15-6-8-16(9-7-15)19-18(21)12-20(13(2)3)17-10-11-17/h6-9,13-14,17H,5,10-12H2,1-4H3,(H,19,21).
What are the key properties of N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide?
N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide has a molecular weight of 288.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 112818363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).