4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide

C16H25N3O2 — CID 104783189

IUPAC4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2(N(C)C)CCCC2)ccc1N
InChIInChI=1S/C16H25N3O2/c1-19(2)16(8-4-5-9-16)11-18-15(20)12-6-7-13(17)14(10-12)21-3/h6-7,10H,4-5,8-9,11,17H2,1-3H3,(H,18,20)
InChIKeyYRGABPMYVQVREL-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.88
Rot. Bonds5

About 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide

4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide (PubChem CID 104783189) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
PubChem CID104783189
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2(N(C)C)CCCC2)ccc1N
InChIInChI=1S/C16H25N3O2/c1-19(2)16(8-4-5-9-16)11-18-15(20)12-6-7-13(17)14(10-12)21-3/h6-7,10H,4-5,8-9,11,17H2,1-3H3,(H,18,20)
InChIKeyYRGABPMYVQVREL-UHFFFAOYSA-N
XLogP1.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 39915609
N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 21409874
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
CID 106099007
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
CID 104783013
3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
CID 18155370
3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
CID 55361577
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
CID 104627729
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 89028285

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide (CID 104783189) is 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide is COc1cc(C(=O)NCC2(N(C)C)CCCC2)ccc1N.
What is the InChIKey of 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide?
The InChIKey is YRGABPMYVQVREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)16(8-4-5-9-16)11-18-15(20)12-6-7-13(17)14(10-12)21-3/h6-7,10H,4-5,8-9,11,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide?
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide has a molecular weight of 291.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 104783189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).