N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide

C23H29N3O3 — CID 98135958

IUPACN-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1CCC([C@H](NC(C)=O)c2ccccn2)CC1
InChIInChI=1S/C23H29N3O3/c1-16(27)26-22(20-8-5-6-14-24-20)18-12-10-17(11-13-18)15-25-23(28)19-7-3-4-9-21(19)29-2/h3-9,14,17-18,22H,10-13,15H2,1-2H3,(H,25,28)(H,26,27)/t17?,18?,22-/m0/s1
InChIKeyVHAYLWBQWGNZCD-IRZJEQJZSA-N
MW395.50 g/mol
LogP3.50
Rot. Bonds7

About N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide

N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide (PubChem CID 98135958) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide
PubChem CID98135958
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1CCC([C@H](NC(C)=O)c2ccccn2)CC1
InChIInChI=1S/C23H29N3O3/c1-16(27)26-22(20-8-5-6-14-24-20)18-12-10-17(11-13-18)15-25-23(28)19-7-3-4-9-21(19)29-2/h3-9,14,17-18,22H,10-13,15H2,1-2H3,(H,25,28)(H,26,27)/t17?,18?,22-/m0/s1
InChIKeyVHAYLWBQWGNZCD-IRZJEQJZSA-N
XLogP3.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide
CID 98136032
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 110241906
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 98135966
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide
CID 110241919
N-[[4-[(R)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-3-methylbutanamide
CID 98135945
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-5-aminopyridine-3-carboxamide
CID 110241934
N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110241999
N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide
CID 110242008
N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide
CID 98135938
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
CID 98136040
2-cyclopropyloxy-N-[cyclopropyl(pyridin-2-yl)methyl]benzamide
CID 138051363
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide (CID 98135958) is N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC1CCC([C@H](NC(C)=O)c2ccccn2)CC1.
What is the InChIKey of N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide?
The InChIKey is VHAYLWBQWGNZCD-IRZJEQJZSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(27)26-22(20-8-5-6-14-24-20)18-12-10-17(11-13-18)15-25-23(28)19-7-3-4-9-21(19)29-2/h3-9,14,17-18,22H,10-13,15H2,1-2H3,(H,25,28)(H,26,27)/t17?,18?,22-/m0/s1.
What are the key properties of N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide?
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide has a molecular weight of 395.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 98135958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).