N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

C17H25N3O — CID 91833217

IUPACN-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCC(NC(=O)CN(C)Cc1ccncc1)C1=CCCCC1
InChIInChI=1S/C17H25N3O/c1-14(16-6-4-3-5-7-16)19-17(21)13-20(2)12-15-8-10-18-11-9-15/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,19,21)
InChIKeyLVKOLVDMAVRHLL-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.52
Rot. Bonds6

About N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 91833217) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
PubChem CID91833217
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCC(NC(=O)CN(C)Cc1ccncc1)C1=CCCCC1
InChIInChI=1S/C17H25N3O/c1-14(16-6-4-3-5-7-16)19-17(21)13-20(2)12-15-8-10-18-11-9-15/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,19,21)
InChIKeyLVKOLVDMAVRHLL-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113163745
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
N-[2-(1-hydroxycyclopentyl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91835522
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9024530
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 26515915
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide (CID 91833217) is N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide is CC(NC(=O)CN(C)Cc1ccncc1)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is LVKOLVDMAVRHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14(16-6-4-3-5-7-16)19-17(21)13-20(2)12-15-8-10-18-11-9-15/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 91833217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).