N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide

C16H26N2O3 — CID 3301412

IUPACN-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
SMILESCCN(CC)CCCNC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H26N2O3/c1-5-18(6-2)12-8-11-17-16(19)15-13(20-3)9-7-10-14(15)21-4/h7,9-10H,5-6,8,11-12H2,1-4H3,(H,17,19)
InChIKeyMKBVXJFSGCSYER-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.17
Rot. Bonds9

About N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide

N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide (PubChem CID 3301412) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
PubChem CID3301412
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
SMILESCCN(CC)CCCNC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H26N2O3/c1-5-18(6-2)12-8-11-17-16(19)15-13(20-3)9-7-10-14(15)21-4/h7,9-10H,5-6,8,11-12H2,1-4H3,(H,17,19)
InChIKeyMKBVXJFSGCSYER-UHFFFAOYSA-N
XLogP2.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.17
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

N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 59001680
1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108899894
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
N-(3-cyanopropyl)-2,6-dimethoxybenzamide
CID 62666063
N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide
CID 110445941
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934768

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide (CID 3301412) is N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide is CCN(CC)CCCNC(=O)c1c(OC)cccc1OC.
What is the InChIKey of N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide?
The InChIKey is MKBVXJFSGCSYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-18(6-2)12-8-11-17-16(19)15-13(20-3)9-7-10-14(15)21-4/h7,9-10H,5-6,8,11-12H2,1-4H3,(H,17,19).
What are the key properties of N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide?
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide has a molecular weight of 294.39 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 3301412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).