4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride

C19H30ClN3O3 — CID 120589876

IUPAC4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-22(16-6-4-3-5-7-16)19(24)14-8-10-15(11-9-14)21-18(23)12-17(13-20)25-2;/h8-11,16-17H,3-7,12-13,20H2,1-2H3,(H,21,23);1H
InChIKeyXOXGEZIHOHCKDP-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.82
Rot. Bonds7

About 4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride

4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride (PubChem CID 120589876) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is 4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
PubChem CID120589876
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC Name4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-22(16-6-4-3-5-7-16)19(24)14-8-10-15(11-9-14)21-18(23)12-17(13-20)25-2;/h8-11,16-17H,3-7,12-13,20H2,1-2H3,(H,21,23);1H
InChIKeyXOXGEZIHOHCKDP-UHFFFAOYSA-N
XLogP2.82
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119950414
N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
CID 119743408
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419
4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590016
N-cyclohexyl-N-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]benzamide
CID 55920262
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide
CID 119743435
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide
CID 120597455
4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide
CID 120591072
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide
CID 55920389
N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55978627
4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890933

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride?
The IUPAC name of 4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride (CID 120589876) is 4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride?
The canonical SMILES for 4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1.Cl.
What is the InChIKey of 4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride?
The InChIKey is XOXGEZIHOHCKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-22(16-6-4-3-5-7-16)19(24)14-8-10-15(11-9-14)21-18(23)12-17(13-20)25-2;/h8-11,16-17H,3-7,12-13,20H2,1-2H3,(H,21,23);1H.
What are the key properties of 4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride?
4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 120589876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).