N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide

C25H34N2O3 — CID 176600583

IUPACN-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
SMILESCCCCOc1ccc(C2(NC(=O)c3cc(OCCN(C)C)ccc3C)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-5-6-16-29-21-11-8-20(9-12-21)25(13-14-25)26-24(28)23-18-22(10-7-19(23)2)30-17-15-27(3)4/h7-12,18H,5-6,13-17H2,1-4H3,(H,26,28)
InChIKeyDFUQRVLHLRSOKG-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.53
Rot. Bonds11

About N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide

N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide (PubChem CID 176600583) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
PubChem CID176600583
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
SMILESCCCCOc1ccc(C2(NC(=O)c3cc(OCCN(C)C)ccc3C)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-5-6-16-29-21-11-8-20(9-12-21)25(13-14-25)26-24(28)23-18-22(10-7-19(23)2)30-17-15-27(3)4/h7-12,18H,5-6,13-17H2,1-4H3,(H,26,28)
InChIKeyDFUQRVLHLRSOKG-UHFFFAOYSA-N
XLogP4.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate
CID 175879195
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
5-hexoxy-2-methylbenzoic acid;hydrochloride
CID 129135578
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine
CID 163472505
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate
CID 175879151
2-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396
ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate
CID 171867031
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150
3-butyl-5-[5-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindole-2-carbonyl]-2,4-dihydroxy-N-methylbenzamide
CID 158557147

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide?
The IUPAC name of N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide (CID 176600583) is N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide.
What is the SMILES notation for N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide?
The canonical SMILES for N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide is CCCCOc1ccc(C2(NC(=O)c3cc(OCCN(C)C)ccc3C)CC2)cc1.
What is the InChIKey of N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide?
The InChIKey is DFUQRVLHLRSOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-5-6-16-29-21-11-8-20(9-12-21)25(13-14-25)26-24(28)23-18-22(10-7-19(23)2)30-17-15-27(3)4/h7-12,18H,5-6,13-17H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide?
N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide has a molecular weight of 410.56 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide is sourced from PubChem (CID 176600583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).