N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide

C25H34N2O3 — CID 155088191

IUPACN-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide
SMILESC#CCN(C(=O)c1ccccc1O)C(C(=O)NCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H34N2O3/c1-2-17-27(25(30)21-15-9-10-16-22(21)28)23(20-13-7-4-8-14-20)24(29)26-18-19-11-5-3-6-12-19/h1,9-10,15-16,19-20,23,28H,3-8,11-14,17-18H2,(H,26,29)
InChIKeyVCKXGNCBAYGSBU-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.11
Rot. Bonds7

About N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide

N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide (PubChem CID 155088191) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide
PubChem CID155088191
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide
SMILESC#CCN(C(=O)c1ccccc1O)C(C(=O)NCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H34N2O3/c1-2-17-27(25(30)21-15-9-10-16-22(21)28)23(20-13-7-4-8-14-20)24(29)26-18-19-11-5-3-6-12-19/h1,9-10,15-16,19-20,23,28H,3-8,11-14,17-18H2,(H,26,29)
InChIKeyVCKXGNCBAYGSBU-UHFFFAOYSA-N
XLogP4.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane
CID 145207801
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
CID 155088072
N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide
CID 155088094
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide
CID 114148036
N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
CID 71889407
N-(cyclohexylmethyl)-2-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]acetamide
CID 55841446
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide?
The IUPAC name of N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide (CID 155088191) is N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide?
The canonical SMILES for N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide is C#CCN(C(=O)c1ccccc1O)C(C(=O)NCC1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide?
The InChIKey is VCKXGNCBAYGSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-2-17-27(25(30)21-15-9-10-16-22(21)28)23(20-13-7-4-8-14-20)24(29)26-18-19-11-5-3-6-12-19/h1,9-10,15-16,19-20,23,28H,3-8,11-14,17-18H2,(H,26,29).
What are the key properties of N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide?
N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide has a molecular weight of 410.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide is sourced from PubChem (CID 155088191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).