N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide

C18H27N3O5 — CID 119609355

IUPACN-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCCC2CN)cc(OC)c1OCC(N)=O
InChIInChI=1S/C18H27N3O5/c1-24-14-7-12(8-15(25-2)17(14)26-10-16(20)22)18(23)21-13-6-4-3-5-11(13)9-19/h7-8,11,13H,3-6,9-10,19H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyPPGQYWJZANLENL-UHFFFAOYSA-N
MW365.43 g/mol
LogP0.82
Rot. Bonds8

About N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide

N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide (PubChem CID 119609355) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
PubChem CID119609355
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCCC2CN)cc(OC)c1OCC(N)=O
InChIInChI=1S/C18H27N3O5/c1-24-14-7-12(8-15(25-2)17(14)26-10-16(20)22)18(23)21-13-6-4-3-5-11(13)9-19/h7-8,11,13H,3-6,9-10,19H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyPPGQYWJZANLENL-UHFFFAOYSA-N
XLogP0.82
TPSA125.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119600537
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
cis-methyl (1R,3S)-3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]cyclohexane-1-carboxylate
CID 97324780
methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]cyclohexane-1-carboxylate
CID 75429682
trans-methyl (1R,3R)-3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]cyclohexane-1-carboxylate
CID 97324779
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119604984

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide (CID 119609355) is N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide is COc1cc(C(=O)NC2CCCCC2CN)cc(OC)c1OCC(N)=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide?
The InChIKey is PPGQYWJZANLENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-24-14-7-12(8-15(25-2)17(14)26-10-16(20)22)18(23)21-13-6-4-3-5-11(13)9-19/h7-8,11,13H,3-6,9-10,19H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide?
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide has a molecular weight of 365.43 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide is sourced from PubChem (CID 119609355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).