1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide

C16H24N2O2 — CID 79588085

IUPAC1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(OCCC2CCCC2(N)C(N)=O)cc1C
InChIInChI=1S/C16H24N2O2/c1-11-5-6-14(10-12(11)2)20-9-7-13-4-3-8-16(13,18)15(17)19/h5-6,10,13H,3-4,7-9,18H2,1-2H3,(H2,17,19)
InChIKeyVDPVSKJPJHVKLZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.06
Rot. Bonds5

About 1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide (PubChem CID 79588085) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide
PubChem CID79588085
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(OCCC2CCCC2(N)C(N)=O)cc1C
InChIInChI=1S/C16H24N2O2/c1-11-5-6-14(10-12(11)2)20-9-7-13-4-3-8-16(13,18)15(17)19/h5-6,10,13H,3-4,7-9,18H2,1-2H3,(H2,17,19)
InChIKeyVDPVSKJPJHVKLZ-UHFFFAOYSA-N
XLogP2.06
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine
CID 79572200
1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide
CID 79588205
2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide
CID 52811665
3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111539418
[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol
CID 79581784
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine
CID 62571201
1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide
CID 79577891
1-[(3S)-3-aminopiperidin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 124628173
2-(3,4-dimethylphenoxy)ethyl (2S)-piperidine-2-carboxylate
CID 122595161
4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 111560556

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide (CID 79588085) is 1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide is Cc1ccc(OCCC2CCCC2(N)C(N)=O)cc1C.
What is the InChIKey of 1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide?
The InChIKey is VDPVSKJPJHVKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-6-14(10-12(11)2)20-9-7-13-4-3-8-16(13,18)15(17)19/h5-6,10,13H,3-4,7-9,18H2,1-2H3,(H2,17,19).
What are the key properties of 1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79588085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).