1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride

C19H31Cl2N3O2 — CID 119889581

IUPAC1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)C2(N)CCCC2)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-15-14-16(21-18(23)19(20)8-2-3-9-19)6-7-17(15)24-13-12-22-10-4-5-11-22;;/h6-7,14H,2-5,8-13,20H2,1H3,(H,21,23);2*1H
InChIKeyBKCDXURSOYBLSV-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.52
Rot. Bonds6

About 1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119889581) has the molecular formula C19H31Cl2N3O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is 1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119889581
Molecular FormulaC19H31Cl2N3O2
Molecular Weight404.38 g/mol
Exact Mass403.18
IUPAC Name1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)C2(N)CCCC2)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-15-14-16(21-18(23)19(20)8-2-3-9-19)6-7-17(15)24-13-12-22-10-4-5-11-22;;/h6-7,14H,2-5,8-13,20H2,1H3,(H,21,23);2*1H
InChIKeyBKCDXURSOYBLSV-UHFFFAOYSA-N
XLogP3.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride
CID 119889617
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N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119889619
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119889613
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CID 119889603
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1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
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1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119864481
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119889581) is 1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride is Cc1cc(NC(=O)C2(N)CCCC2)ccc1OCCN1CCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is BKCDXURSOYBLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.2ClH/c1-15-14-16(21-18(23)19(20)8-2-3-9-19)6-7-17(15)24-13-12-22-10-4-5-11-22;;/h6-7,14H,2-5,8-13,20H2,1H3,(H,21,23);2*1H.
What are the key properties of 1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 404.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119889581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).