methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride

C18H26ClN3O4 — CID 119701343

IUPACmethyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-25-16(22)9-10-20-17(23)12-5-7-15(8-6-12)21-18(24)13-3-2-4-14(19)11-13;/h5-8,13-14H,2-4,9-11,19H2,1H3,(H,20,23)(H,21,24);1H
InChIKeyOHOQZFIIQILQPZ-UHFFFAOYSA-N
MW383.88 g/mol
LogP1.86
Rot. Bonds6

About methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride

methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride (PubChem CID 119701343) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
PubChem CID119701343
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC Namemethyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-25-16(22)9-10-20-17(23)12-5-7-15(8-6-12)21-18(24)13-3-2-4-14(19)11-13;/h5-8,13-14H,2-4,9-11,19H2,1H3,(H,20,23)(H,21,24);1H
InChIKeyOHOQZFIIQILQPZ-UHFFFAOYSA-N
XLogP1.86
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride with MolForge

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Related Compounds

4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119698530
methyl 4-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]butanoate
CID 119784190
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 119718400
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865091
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate
CID 119775675
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671365
methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119277484
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride (CID 119701343) is methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride is COC(=O)CCNC(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1.Cl.
What is the InChIKey of methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride?
The InChIKey is OHOQZFIIQILQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4.ClH/c1-25-16(22)9-10-20-17(23)12-5-7-15(8-6-12)21-18(24)13-3-2-4-14(19)11-13;/h5-8,13-14H,2-4,9-11,19H2,1H3,(H,20,23)(H,21,24);1H.
What are the key properties of methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride?
methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 119701343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).