3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide

C20H32N2O3 — CID 119688640

IUPAC3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)C2CCC(N)C2)cc1OCCC
InChIInChI=1S/C20H32N2O3/c1-4-10-24-18-9-7-15(13-19(18)25-11-5-2)14(3)22-20(23)16-6-8-17(21)12-16/h7,9,13-14,16-17H,4-6,8,10-12,21H2,1-3H3,(H,22,23)
InChIKeyDKUFOXITWUWNHU-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.57
Rot. Bonds9

About 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide

3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 119688640) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID119688640
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)C2CCC(N)C2)cc1OCCC
InChIInChI=1S/C20H32N2O3/c1-4-10-24-18-9-7-15(13-19(18)25-11-5-2)14(3)22-20(23)16-6-8-17(21)12-16/h7,9,13-14,16-17H,4-6,8,10-12,21H2,1-3H3,(H,22,23)
InChIKeyDKUFOXITWUWNHU-UHFFFAOYSA-N
XLogP3.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119688642
N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119270790
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 66010445
4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672678
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119732102
trans-(1R,2R)-2-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124857094
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784279
N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine
CID 16777784
3-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376252
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide (CID 119688640) is 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide is CCCOc1ccc(C(C)NC(=O)C2CCC(N)C2)cc1OCCC.
What is the InChIKey of 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is DKUFOXITWUWNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-4-10-24-18-9-7-15(13-19(18)25-11-5-2)14(3)22-20(23)16-6-8-17(21)12-16/h7,9,13-14,16-17H,4-6,8,10-12,21H2,1-3H3,(H,22,23).
What are the key properties of 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide?
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119688640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).