N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide

C19H31N3O2 — CID 119567916

IUPACN-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide
SMILESCCN(CC)CCOc1ccc(C(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C19H31N3O2/c1-3-22(4-2)13-14-24-17-9-7-16(8-10-17)18(23)21-19(15-20)11-5-6-12-19/h7-10H,3-6,11-15,20H2,1-2H3,(H,21,23)
InChIKeyQQTDGJIDXNKONZ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.41
Rot. Bonds9

About N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide

N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide (PubChem CID 119567916) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide
PubChem CID119567916
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide
SMILESCCN(CC)CCOc1ccc(C(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C19H31N3O2/c1-3-22(4-2)13-14-24-17-9-7-16(8-10-17)18(23)21-19(15-20)11-5-6-12-19/h7-10H,3-6,11-15,20H2,1-2H3,(H,21,23)
InChIKeyQQTDGJIDXNKONZ-UHFFFAOYSA-N
XLogP2.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119567915
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide
CID 119566289
N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119629951
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
CID 63754595
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119608481
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
CID 119567918
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430502
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide (CID 119567916) is N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide is CCN(CC)CCOc1ccc(C(=O)NC2(CN)CCCC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide?
The InChIKey is QQTDGJIDXNKONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-22(4-2)13-14-24-17-9-7-16(8-10-17)18(23)21-19(15-20)11-5-6-12-19/h7-10H,3-6,11-15,20H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide?
N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide has a molecular weight of 333.48 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide is sourced from PubChem (CID 119567916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).