3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide

C19H31N3O2 — CID 119837688

IUPAC3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCC(N)C1)c1cccc(OC)c1
InChIInChI=1S/C19H31N3O2/c1-4-22(5-2)18(14-7-6-8-17(12-14)24-3)13-21-19(23)15-9-10-16(20)11-15/h6-8,12,15-16,18H,4-5,9-11,13,20H2,1-3H3,(H,21,23)
InChIKeyKBNMFURZYJXISD-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.32
Rot. Bonds8

About 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide

3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 119837688) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID119837688
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCC(N)C1)c1cccc(OC)c1
InChIInChI=1S/C19H31N3O2/c1-4-22(5-2)18(14-7-6-8-17(12-14)24-3)13-21-19(23)15-9-10-16(20)11-15/h6-8,12,15-16,18H,4-5,9-11,13,20H2,1-3H3,(H,21,23)
InChIKeyKBNMFURZYJXISD-UHFFFAOYSA-N
XLogP2.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765481
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 60562956
(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120631312
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
N-[2-[[N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927620
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30750639
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55566611
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111037506
3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 166217159
3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55836468

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide (CID 119837688) is 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide is CCN(CC)C(CNC(=O)C1CCC(N)C1)c1cccc(OC)c1.
What is the InChIKey of 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is KBNMFURZYJXISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-22(5-2)18(14-7-6-8-17(12-14)24-3)13-21-19(23)15-9-10-16(20)11-15/h6-8,12,15-16,18H,4-5,9-11,13,20H2,1-3H3,(H,21,23).
What are the key properties of 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119837688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).