N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide

C23H30N2O3 — CID 55780983

IUPACN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide
SMILESCOc1cc(C(C)NC(=O)c2cccc(N(C)C)c2)ccc1OC1CCCC1
InChIInChI=1S/C23H30N2O3/c1-16(24-23(26)18-8-7-9-19(14-18)25(2)3)17-12-13-21(22(15-17)27-4)28-20-10-5-6-11-20/h7-9,12-16,20H,5-6,10-11H2,1-4H3,(H,24,26)
InChIKeyCCIHVESSVWFQKQ-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.57
Rot. Bonds7

About N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide

N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide (PubChem CID 55780983) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide
PubChem CID55780983
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide
SMILESCOc1cc(C(C)NC(=O)c2cccc(N(C)C)c2)ccc1OC1CCCC1
InChIInChI=1S/C23H30N2O3/c1-16(24-23(26)18-8-7-9-19(14-18)25(2)3)17-12-13-21(22(15-17)27-4)28-20-10-5-6-11-20/h7-9,12-16,20H,5-6,10-11H2,1-4H3,(H,24,26)
InChIKeyCCIHVESSVWFQKQ-UHFFFAOYSA-N
XLogP4.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86994806
3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787497
5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684986
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 55745736
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176
4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(dimethylamino)benzamide
CID 51177608
2-(4-acetyl-2-methoxyphenoxy)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]acetamide
CID 55746116
4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
CID 78889552
N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 94028872
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 55745702

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide (CID 55780983) is N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide is COc1cc(C(C)NC(=O)c2cccc(N(C)C)c2)ccc1OC1CCCC1.
What is the InChIKey of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide?
The InChIKey is CCIHVESSVWFQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(24-23(26)18-8-7-9-19(14-18)25(2)3)17-12-13-21(22(15-17)27-4)28-20-10-5-6-11-20/h7-9,12-16,20H,5-6,10-11H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide?
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 55780983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).