3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide

C14H22N2O3 — CID 62663294

IUPAC3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)15-5-6-16-14(17)11-7-12(18-3)9-13(8-11)19-4/h7-10,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyBNHSRYSAAREILM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.43
Rot. Bonds7

About 3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide

3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 62663294) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
PubChem CID62663294
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)15-5-6-16-14(17)11-7-12(18-3)9-13(8-11)19-4/h7-10,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyBNHSRYSAAREILM-UHFFFAOYSA-N
XLogP1.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
4-[(3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80539032
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
N-(4-chloropentyl)-3,5-dimethoxybenzamide
CID 106130065
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107832382
3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62658425

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide (CID 62663294) is 3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCNC(C)C)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is BNHSRYSAAREILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)15-5-6-16-14(17)11-7-12(18-3)9-13(8-11)19-4/h7-10,15H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 266.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 62663294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).