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

C21H34N2O3 — CID 119688642

IUPAC3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)C2CCCC(N)C2)cc1OCCC
InChIInChI=1S/C21H34N2O3/c1-4-11-25-19-10-9-16(14-20(19)26-12-5-2)15(3)23-21(24)17-7-6-8-18(22)13-17/h9-10,14-15,17-18H,4-8,11-13,22H2,1-3H3,(H,23,24)
InChIKeyYSZWYAUJVFAXDI-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.96
Rot. Bonds9

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

3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119688642) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID119688642
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)C2CCCC(N)C2)cc1OCCC
InChIInChI=1S/C21H34N2O3/c1-4-11-25-19-10-9-16(14-20(19)26-12-5-2)15(3)23-21(24)17-7-6-8-18(22)13-17/h9-10,14-15,17-18H,4-8,11-13,22H2,1-3H3,(H,23,24)
InChIKeyYSZWYAUJVFAXDI-UHFFFAOYSA-N
XLogP3.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119688640
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119732102
N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119270790
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119720260
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-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119691302
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119725658
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
3-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119699854
3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119688683

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide (CID 119688642) is 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide is CCCOc1ccc(C(C)NC(=O)C2CCCC(N)C2)cc1OCCC.
What is the InChIKey of 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is YSZWYAUJVFAXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-4-11-25-19-10-9-16(14-20(19)26-12-5-2)15(3)23-21(24)17-7-6-8-18(22)13-17/h9-10,14-15,17-18H,4-8,11-13,22H2,1-3H3,(H,23,24).
What are the key properties of 3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 362.51 g/mol, XLogP of 3.96, 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]cyclohexane-1-carboxamide is sourced from PubChem (CID 119688642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).