2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide

C20H29N3O2 — CID 113159748

IUPAC2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCC(=O)N(CCC1=CCCCC1)CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H29N3O2/c1-16(24)23(14-13-17-7-5-4-6-8-17)15-20(25)21-18-9-11-19(12-10-18)22(2)3/h7,9-12H,4-6,8,13-15H2,1-3H3,(H,21,25)
InChIKeyVRLULNUJGIOXMT-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.43
Rot. Bonds7

About 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide

2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 113159748) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID113159748
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCC(=O)N(CCC1=CCCCC1)CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H29N3O2/c1-16(24)23(14-13-17-7-5-4-6-8-17)15-20(25)21-18-9-11-19(12-10-18)22(2)3/h7,9-12H,4-6,8,13-15H2,1-3H3,(H,21,25)
InChIKeyVRLULNUJGIOXMT-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113159715
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113159780
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116811
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 113116812
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(dimethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972632
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide
CID 113149168
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113116856
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113159656
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109052475
2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113159358

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide (CID 113159748) is 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide is CC(=O)N(CCC1=CCCCC1)CC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is VRLULNUJGIOXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16(24)23(14-13-17-7-5-4-6-8-17)15-20(25)21-18-9-11-19(12-10-18)22(2)3/h7,9-12H,4-6,8,13-15H2,1-3H3,(H,21,25).
What are the key properties of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide?
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 113159748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).