3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide

C21H35N3O2 — CID 113117613

IUPAC3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C(C)C)cccc1C(C)C)CCN(C)C
InChIInChI=1S/C21H35N3O2/c1-15(2)18-9-8-10-19(16(3)4)21(18)22-20(26)11-12-24(17(5)25)14-13-23(6)7/h8-10,15-16H,11-14H2,1-7H3,(H,22,26)
InChIKeyYKITZJNGUPDYRM-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.67
Rot. Bonds9

About 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide (PubChem CID 113117613) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
PubChem CID113117613
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C(C)C)cccc1C(C)C)CCN(C)C
InChIInChI=1S/C21H35N3O2/c1-15(2)18-9-8-10-19(16(3)4)21(18)22-20(26)11-12-24(17(5)25)14-13-23(6)7/h8-10,15-16H,11-14H2,1-7H3,(H,22,26)
InChIKeyYKITZJNGUPDYRM-UHFFFAOYSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113120993
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113117900
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117546
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
3-[cyclopropyl(methylsulfonyl)amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113136412
2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 84563712
2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113160158
3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113118994
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide
CID 113117576

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide?
The IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide (CID 113117613) is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide?
The canonical SMILES for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1c(C(C)C)cccc1C(C)C)CCN(C)C.
What is the InChIKey of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide?
The InChIKey is YKITZJNGUPDYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-15(2)18-9-8-10-19(16(3)4)21(18)22-20(26)11-12-24(17(5)25)14-13-23(6)7/h8-10,15-16H,11-14H2,1-7H3,(H,22,26).
What are the key properties of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide?
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide has a molecular weight of 361.53 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide is sourced from PubChem (CID 113117613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).