4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide

C23H30N2O3 — CID 78889552

IUPAC4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(CN(C)C)c2ccccc2)ccc1OC1CCCC1
InChIInChI=1S/C23H30N2O3/c1-25(2)16-20(17-9-5-4-6-10-17)24-23(26)18-13-14-21(22(15-18)27-3)28-19-11-7-8-12-19/h4-6,9-10,13-15,19-20H,7-8,11-12,16H2,1-3H3,(H,24,26)
InChIKeySDDKUZVTXYBSOZ-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.05
Rot. Bonds8

About 4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide

4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide (PubChem CID 78889552) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
PubChem CID78889552
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(CN(C)C)c2ccccc2)ccc1OC1CCCC1
InChIInChI=1S/C23H30N2O3/c1-25(2)16-20(17-9-5-4-6-10-17)24-23(26)18-13-14-21(22(15-18)27-3)28-19-11-7-8-12-19/h4-6,9-10,13-15,19-20H,7-8,11-12,16H2,1-3H3,(H,24,26)
InChIKeySDDKUZVTXYBSOZ-UHFFFAOYSA-N
XLogP4.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 8936655
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153
2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757
ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 57029347
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8936252
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide
CID 55780983
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide?
The IUPAC name of 4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide (CID 78889552) is 4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide?
The canonical SMILES for 4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide is COc1cc(C(=O)NC(CN(C)C)c2ccccc2)ccc1OC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide?
The InChIKey is SDDKUZVTXYBSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-25(2)16-20(17-9-5-4-6-10-17)24-23(26)18-13-14-21(22(15-18)27-3)28-19-11-7-8-12-19/h4-6,9-10,13-15,19-20H,7-8,11-12,16H2,1-3H3,(H,24,26).
What are the key properties of 4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide?
4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide has a molecular weight of 382.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide is sourced from PubChem (CID 78889552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).