2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide

C16H25ClN2O — CID 60719784

IUPAC2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
SMILESCCC(C)NCC(=O)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-5-12(4)18-10-15(20)19-16(11(2)3)13-6-8-14(17)9-7-13/h6-9,11-12,16,18H,5,10H2,1-4H3,(H,19,20)
InChIKeyKNNAGVPIHOMNOC-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.54
Rot. Bonds7

About 2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide

2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide (PubChem CID 60719784) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
PubChem CID60719784
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
SMILESCCC(C)NCC(=O)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-5-12(4)18-10-15(20)19-16(11(2)3)13-6-8-14(17)9-7-13/h6-9,11-12,16,18H,5,10H2,1-4H3,(H,19,20)
InChIKeyKNNAGVPIHOMNOC-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 60684128
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 60718649
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide
CID 43704019
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide
CID 79810224
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide
CID 60559744
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 8637382
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 8637387
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18140277

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide (CID 60719784) is 2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide is CCC(C)NCC(=O)NC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide?
The InChIKey is KNNAGVPIHOMNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-12(4)18-10-15(20)19-16(11(2)3)13-6-8-14(17)9-7-13/h6-9,11-12,16,18H,5,10H2,1-4H3,(H,19,20).
What are the key properties of 2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide?
2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide has a molecular weight of 296.84 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 60719784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).