3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide

C19H32N4O — CID 143632733

IUPAC3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc(N2CCCC(N(C)C)CC2)cc1
InChIInChI=1S/C19H32N4O/c1-21(2)14-12-19(24)20-16-7-9-18(10-8-16)23-13-5-6-17(11-15-23)22(3)4/h7-10,17H,5-6,11-15H2,1-4H3,(H,20,24)
InChIKeyQDOASKFDHOMWPO-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.50
Rot. Bonds6

About 3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide

3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide (PubChem CID 143632733) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide
PubChem CID143632733
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc(N2CCCC(N(C)C)CC2)cc1
InChIInChI=1S/C19H32N4O/c1-21(2)14-12-19(24)20-16-7-9-18(10-8-16)23-13-5-6-17(11-15-23)22(3)4/h7-10,17H,5-6,11-15H2,1-4H3,(H,20,24)
InChIKeyQDOASKFDHOMWPO-UHFFFAOYSA-N
XLogP2.50
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]-3-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]propanamide
CID 143632317
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113136398
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 108795373
3-[(2,3-dichlorophenyl)sulfinyl-methylamino]-N-[4-[3-(dimethylamino)piperidin-1-yl]phenyl]propanamide
CID 143632106
N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]propanamide
CID 24849820
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914
3-methylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18165019
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 108995156
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113122956
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide (CID 143632733) is 3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide is CN(C)CCC(=O)Nc1ccc(N2CCCC(N(C)C)CC2)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide?
The InChIKey is QDOASKFDHOMWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-21(2)14-12-19(24)20-16-7-9-18(10-8-16)23-13-5-6-17(11-15-23)22(3)4/h7-10,17H,5-6,11-15H2,1-4H3,(H,20,24).
What are the key properties of 3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide?
3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide has a molecular weight of 332.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide is sourced from PubChem (CID 143632733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).