4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride

C18H28ClN3O3 — CID 119590176

IUPAC4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride
SMILESCl.NCC(NC(=O)CCOc1ccc(C(N)=O)cc1)C1CCCCC1
InChIInChI=1S/C18H27N3O3.ClH/c19-12-16(13-4-2-1-3-5-13)21-17(22)10-11-24-15-8-6-14(7-9-15)18(20)23;/h6-9,13,16H,1-5,10-12,19H2,(H2,20,23)(H,21,22);1H
InChIKeySOFSHXVXDQNKGI-UHFFFAOYSA-N
MW369.89 g/mol
LogP2.00
Rot. Bonds8

About 4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride

4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride (PubChem CID 119590176) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride
PubChem CID119590176
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride
SMILESCl.NCC(NC(=O)CCOc1ccc(C(N)=O)cc1)C1CCCCC1
InChIInChI=1S/C18H27N3O3.ClH/c19-12-16(13-4-2-1-3-5-13)21-17(22)10-11-24-15-8-6-14(7-9-15)18(20)23;/h6-9,13,16H,1-5,10-12,19H2,(H2,20,23)(H,21,22);1H
InChIKeySOFSHXVXDQNKGI-UHFFFAOYSA-N
XLogP2.00
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119614077
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CID 119592068
N-(2-amino-1-cyclohexylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
CID 119590589
4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119620022
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CID 119590687
N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119591138
N-(2-amino-1-cyclohexylethyl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119590309
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
CID 119476133
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide
CID 95972620
N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
N-(2-amino-1-cyclopropylethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119614047

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride?
The IUPAC name of 4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride (CID 119590176) is 4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride.
What is the SMILES notation for 4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride?
The canonical SMILES for 4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride is Cl.NCC(NC(=O)CCOc1ccc(C(N)=O)cc1)C1CCCCC1.
What is the InChIKey of 4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride?
The InChIKey is SOFSHXVXDQNKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c19-12-16(13-4-2-1-3-5-13)21-17(22)10-11-24-15-8-6-14(7-9-15)18(20)23;/h6-9,13,16H,1-5,10-12,19H2,(H2,20,23)(H,21,22);1H.
What are the key properties of 4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride?
4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride is sourced from PubChem (CID 119590176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).