N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C16H22N2O4 — CID 119604984

IUPACN-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NC2CCCC2CN)cc2c1OCCO2
InChIInChI=1S/C16H22N2O4/c1-20-13-7-11(8-14-15(13)22-6-5-21-14)16(19)18-12-4-2-3-10(12)9-17/h7-8,10,12H,2-6,9,17H2,1H3,(H,18,19)
InChIKeyGZEVRNZEYGEQSZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.32
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 119604984) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID119604984
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NC2CCCC2CN)cc2c1OCCO2
InChIInChI=1S/C16H22N2O4/c1-20-13-7-11(8-14-15(13)22-6-5-21-14)16(19)18-12-4-2-3-10(12)9-17/h7-8,10,12H,2-6,9,17H2,1H3,(H,18,19)
InChIKeyGZEVRNZEYGEQSZ-UHFFFAOYSA-N
XLogP1.32
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51200423
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777048
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
CID 119609355
4-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230148
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119600537
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]thiourea
CID 11937262

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 119604984) is N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)NC2CCCC2CN)cc2c1OCCO2.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is GZEVRNZEYGEQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-20-13-7-11(8-14-15(13)22-6-5-21-14)16(19)18-12-4-2-3-10(12)9-17/h7-8,10,12H,2-6,9,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 119604984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).