2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide

C15H22N2O4 — CID 65103770

IUPAC2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)NCC2(O)CCCC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-20-12-7-10(11(16)8-13(12)21-2)14(18)17-9-15(19)5-3-4-6-15/h7-8,19H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyGORLGCLVTITDFJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.32
Rot. Bonds5

About 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide

2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide (PubChem CID 65103770) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
PubChem CID65103770
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)NCC2(O)CCCC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-20-12-7-10(11(16)8-13(12)21-2)14(18)17-9-15(19)5-3-4-6-15/h7-8,19H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyGORLGCLVTITDFJ-UHFFFAOYSA-N
XLogP1.32
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
CID 113248973
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
CID 115643433
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310299
2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114193980
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide (CID 65103770) is 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide is COc1cc(N)c(C(=O)NCC2(O)CCCC2)cc1OC.
What is the InChIKey of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide?
The InChIKey is GORLGCLVTITDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-12-7-10(11(16)8-13(12)21-2)14(18)17-9-15(19)5-3-4-6-15/h7-8,19H,3-6,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide?
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide has a molecular weight of 294.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 65103770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).