3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide

C15H20N2O3 — CID 106911930

IUPAC3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(C3OCCO3)c2)C1
InChIInChI=1S/C15H20N2O3/c16-12-5-4-10(8-12)14(18)17-13-3-1-2-11(9-13)15-19-6-7-20-15/h1-3,9-10,12,15H,4-8,16H2,(H,17,18)
InChIKeyRFKXOFOJLHVXTG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.80
Rot. Bonds3

About 3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide

3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 106911930) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID106911930
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(C3OCCO3)c2)C1
InChIInChI=1S/C15H20N2O3/c16-12-5-4-10(8-12)14(18)17-13-3-1-2-11(9-13)15-19-6-7-20-15/h1-3,9-10,12,15H,4-8,16H2,(H,17,18)
InChIKeyRFKXOFOJLHVXTG-UHFFFAOYSA-N
XLogP1.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 106911880
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide
CID 106911851
3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide
CID 66010193
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 66031472
N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119761839
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
N-[3-(1,3-dioxolan-2-yl)phenyl]piperidine-2-carboxamide
CID 106911956
3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119773958
N-[3-[(3-aminocyclopentyl)amino]phenyl]cyclopropanecarboxamide
CID 79462712
(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911920

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide (CID 106911930) is 3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2cccc(C3OCCO3)c2)C1.
What is the InChIKey of 3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is RFKXOFOJLHVXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-12-5-4-10(8-12)14(18)17-13-3-1-2-11(9-13)15-19-6-7-20-15/h1-3,9-10,12,15H,4-8,16H2,(H,17,18).
What are the key properties of 3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 106911930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).