N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride

C16H24ClN3O3 — CID 119609783

IUPACN-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C16H23N3O3.ClH/c17-9-12-3-1-2-4-14(12)19-16(21)11-5-7-13(8-6-11)22-10-15(18)20;/h5-8,12,14H,1-4,9-10,17H2,(H2,18,20)(H,19,21);1H
InChIKeyBPRZRSBJPMJGPF-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.22
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride (PubChem CID 119609783) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
PubChem CID119609783
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C16H23N3O3.ClH/c17-9-12-3-1-2-4-14(12)19-16(21)11-5-7-13(8-6-11)22-10-15(18)20;/h5-8,12,14H,1-4,9-10,17H2,(H2,18,20)(H,19,21);1H
InChIKeyBPRZRSBJPMJGPF-UHFFFAOYSA-N
XLogP1.22
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452
N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119604415
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
CID 119609355
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 119611391
4-(2-amino-2-oxoethoxy)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 78851563
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119610419
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride (CID 119609783) is N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride?
The InChIKey is BPRZRSBJPMJGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c17-9-12-3-1-2-4-14(12)19-16(21)11-5-7-13(8-6-11)22-10-15(18)20;/h5-8,12,14H,1-4,9-10,17H2,(H2,18,20)(H,19,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119609783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).