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

C25H28N2O2 — CID 155088094

IUPACN-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide
SMILESC#CCN(C(=O)c1ccccc1)C(C(=O)NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C25H28N2O2/c1-2-18-27(25(29)22-16-10-5-11-17-22)23(21-14-8-4-9-15-21)24(28)26-19-20-12-6-3-7-13-20/h1,3,5-7,10-13,16-17,21,23H,4,8-9,14-15,18-19H2,(H,26,28)
InChIKeyJFCIMACLOCXOQK-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.03
Rot. Bonds7

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

N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide (PubChem CID 155088094) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide
PubChem CID155088094
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide
SMILESC#CCN(C(=O)c1ccccc1)C(C(=O)NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C25H28N2O2/c1-2-18-27(25(29)22-16-10-5-11-17-22)23(21-14-8-4-9-15-21)24(28)26-19-20-12-6-3-7-13-20/h1,3,5-7,10-13,16-17,21,23H,4,8-9,14-15,18-19H2,(H,26,28)
InChIKeyJFCIMACLOCXOQK-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide
CID 155088191
N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide
CID 22941487
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-cyclopropyl-2-oxoethyl]-N-(3-chlorophenyl)prop-2-ynamide
CID 166631250
N-benzylcyclopentanecarboxamide
CID 835634
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
N-benzyl-N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-hexyl-2-iodobenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-iodo-N-prop-2-enylbenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodobenzamide;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-N-prop-2-ynylbenzamide
CID 159140811
N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide
CID 166332777
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide
CID 60573206
N,N-bis(prop-2-ynyl)benzamide
CID 11790147

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide?
The IUPAC name of N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide (CID 155088094) is N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide?
The canonical SMILES for N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide is C#CCN(C(=O)c1ccccc1)C(C(=O)NCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide?
The InChIKey is JFCIMACLOCXOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-2-18-27(25(29)22-16-10-5-11-17-22)23(21-14-8-4-9-15-21)24(28)26-19-20-12-6-3-7-13-20/h1,3,5-7,10-13,16-17,21,23H,4,8-9,14-15,18-19H2,(H,26,28).
What are the key properties of N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide?
N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide has a molecular weight of 388.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide is sourced from PubChem (CID 155088094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).