1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide

C22H34N2O3 — CID 100734194

IUPAC1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC(C)CC1
InChIInChI=1S/C22H34N2O3/c1-3-27-22(12-10-18(2)11-13-22)21(25)23-19-6-8-20(9-7-19)26-17-16-24-14-4-5-15-24/h6-9,18H,3-5,10-17H2,1-2H3,(H,23,25)
InChIKeyZFVNDYHFVHDTLT-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.09
Rot. Bonds8

About 1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide

1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 100734194) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID100734194
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC(C)CC1
InChIInChI=1S/C22H34N2O3/c1-3-27-22(12-10-18(2)11-13-22)21(25)23-19-6-8-20(9-7-19)26-17-16-24-14-4-5-15-24/h6-9,18H,3-5,10-17H2,1-2H3,(H,23,25)
InChIKeyZFVNDYHFVHDTLT-UHFFFAOYSA-N
XLogP4.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100716765
1-ethoxy-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100730558
1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100730573
1-ethoxy-4-methyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060354
1-ethoxy-4-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 100734391
4-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 133246433
N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1-propoxycyclopentane-1-carboxamide
CID 133246343
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100706271
1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100691827
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246824
1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133246779
1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100702903

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide (CID 100734194) is 1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide is CCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC(C)CC1.
What is the InChIKey of 1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is ZFVNDYHFVHDTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-3-27-22(12-10-18(2)11-13-22)21(25)23-19-6-8-20(9-7-19)26-17-16-24-14-4-5-15-24/h6-9,18H,3-5,10-17H2,1-2H3,(H,23,25).
What are the key properties of 1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide?
1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100734194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).