3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide

C17H25N3O3 — CID 155496364

IUPAC3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)c1
InChIInChI=1S/C17H25N3O3/c1-20(2)17(23)13-5-3-4-11(8-13)10-19-16(22)12-6-7-15(21)14(18)9-12/h3-5,8,12,14-15,21H,6-7,9-10,18H2,1-2H3,(H,19,22)/t12-,14+,15+/m0/s1
InChIKeyRNMVQIMTEXSTIO-NWANDNLSSA-N
MW319.41 g/mol
LogP0.49
Rot. Bonds4

About 3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide

3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 155496364) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID155496364
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)c1
InChIInChI=1S/C17H25N3O3/c1-20(2)17(23)13-5-3-4-11(8-13)10-19-16(22)12-6-7-15(21)14(18)9-12/h3-5,8,12,14-15,21H,6-7,9-10,18H2,1-2H3,(H,19,22)/t12-,14+,15+/m0/s1
InChIKeyRNMVQIMTEXSTIO-NWANDNLSSA-N
XLogP0.49
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719955
9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990795
(1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 155500098
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
4-[[[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide
CID 135094441
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813
4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672448
3-[[[(1S,3R,4R)-4-amino-3-propoxycyclohexanecarbonyl]amino]methyl]-N-methylbenzamide;hydrochloride
CID 163334296
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155938702
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986134
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide (CID 155496364) is 3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)c1.
What is the InChIKey of 3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is RNMVQIMTEXSTIO-NWANDNLSSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20(2)17(23)13-5-3-4-11(8-13)10-19-16(22)12-6-7-15(21)14(18)9-12/h3-5,8,12,14-15,21H,6-7,9-10,18H2,1-2H3,(H,19,22)/t12-,14+,15+/m0/s1.
What are the key properties of 3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide?
3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 155496364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).