(1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide

C17H23N3O2 — CID 131935019

IUPAC(1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide
SMILESCN(CC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O)Cc1ccccc1
InChIInChI=1S/C17H23N3O2/c1-20(11-13-7-3-2-4-8-13)12-16(21)19-15-10-6-5-9-14(15)17(18)22/h2-8,14-15H,9-12H2,1H3,(H2,18,22)(H,19,21)/t14-,15-/m1/s1
InChIKeyJMCGRNCPZJPSFX-HUUCEWRRSA-N
MW301.39 g/mol
LogP1.05
Rot. Bonds6

About (1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide

(1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide (PubChem CID 131935019) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide
PubChem CID131935019
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide
SMILESCN(CC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O)Cc1ccccc1
InChIInChI=1S/C17H23N3O2/c1-20(11-13-7-3-2-4-8-13)12-16(21)19-15-10-6-5-9-14(15)17(18)22/h2-8,14-15H,9-12H2,1H3,(H2,18,22)(H,19,21)/t14-,15-/m1/s1
InChIKeyJMCGRNCPZJPSFX-HUUCEWRRSA-N
XLogP1.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate
CID 8900979
N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
CID 21483014
2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94162151
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
(1S,6S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 7157276
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 43248801

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide (CID 131935019) is (1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide is CN(CC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O)Cc1ccccc1.
What is the InChIKey of (1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide?
The InChIKey is JMCGRNCPZJPSFX-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20(11-13-7-3-2-4-8-13)12-16(21)19-15-10-6-5-9-14(15)17(18)22/h2-8,14-15H,9-12H2,1H3,(H2,18,22)(H,19,21)/t14-,15-/m1/s1.
What are the key properties of (1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide?
(1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[[2-[benzyl(methyl)amino]acetyl]amino]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 131935019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).