3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide

C18H29N3O2 — CID 113117893

IUPAC3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(CCCN(C)C)C(C)=O
InChIInChI=1S/C18H29N3O2/c1-5-16-9-6-7-10-17(16)19-18(23)11-14-21(15(2)22)13-8-12-20(3)4/h6-7,9-10H,5,8,11-14H2,1-4H3,(H,19,23)
InChIKeyMKDORMKAPPWCMB-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.38
Rot. Bonds9

About 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide

3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide (PubChem CID 113117893) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide
PubChem CID113117893
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(CCCN(C)C)C(C)=O
InChIInChI=1S/C18H29N3O2/c1-5-16-9-6-7-10-17(16)19-18(23)11-14-21(15(2)22)13-8-12-20(3)4/h6-7,9-10H,5,8,11-14H2,1-4H3,(H,19,23)
InChIKeyMKDORMKAPPWCMB-UHFFFAOYSA-N
XLogP2.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117546
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113117900
3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
CID 113117158
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113117902
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113117165
3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide (CID 113117893) is 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN(CCCN(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide?
The InChIKey is MKDORMKAPPWCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-16-9-6-7-10-17(16)19-18(23)11-14-21(15(2)22)13-8-12-20(3)4/h6-7,9-10H,5,8,11-14H2,1-4H3,(H,19,23).
What are the key properties of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide?
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 113117893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).