1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide

C17H26N2O2 — CID 64551079

IUPAC1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccccc1NC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C17H26N2O2/c1-3-11-21-15-9-5-4-8-14(15)19-16(20)17(18)10-6-7-13(2)12-17/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3,(H,19,20)
InChIKeyIFMKQRLPELYCSO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.32
Rot. Bonds5

About 1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide

1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 64551079) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide
PubChem CID64551079
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccccc1NC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C17H26N2O2/c1-3-11-21-15-9-5-4-8-14(15)19-16(20)17(18)10-6-7-13(2)12-17/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3,(H,19,20)
InChIKeyIFMKQRLPELYCSO-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
CID 113312751
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
trans-(1S,3R)-1-methoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757495
trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100762900
N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205462
1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
CID 64555084
1-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 103808128
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838
2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid
CID 107341108
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide (CID 64551079) is 1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide is CCCOc1ccccc1NC(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is IFMKQRLPELYCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-11-21-15-9-5-4-8-14(15)19-16(20)17(18)10-6-7-13(2)12-17/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide?
1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64551079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).