3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide

C23H32N4O2 — CID 139956232

IUPAC3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCN(C)C)cc2)cc1
InChIInChI=1S/C23H32N4O2/c1-26(2)15-13-22(28)24-20-9-5-18(6-10-20)17-19-7-11-21(12-8-19)25-23(29)14-16-27(3)4/h5-12H,13-17H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyPFQXDRDVZWCOQC-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.06
Rot. Bonds10

About 3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide

3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide (PubChem CID 139956232) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
PubChem CID139956232
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCN(C)C)cc2)cc1
InChIInChI=1S/C23H32N4O2/c1-26(2)15-13-22(28)24-20-9-5-18(6-10-20)17-19-7-11-21(12-8-19)25-23(29)14-16-27(3)4/h5-12H,13-17H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyPFQXDRDVZWCOQC-UHFFFAOYSA-N
XLogP3.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868276
3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139954498
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
CID 141036674
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693042
3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide
CID 139955588
3-[butyl(heptyl)amino]-N-[4-[[4-[3-[butyl(heptyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139955530
methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
CID 2835080
4-[octyl(pentyl)amino]-N-[4-[[4-[4-[octyl(pentyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139955611
3-oxo-N-[4-[[4-(3-oxobutanoylamino)phenyl]methyl]phenyl]butanamide
CID 4165564
4-[4-[(dimethylamino)methyl]anilino]-4-oxobutanoic acid
CID 54868215
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide (CID 139956232) is 3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide is CN(C)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCN(C)C)cc2)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide?
The InChIKey is PFQXDRDVZWCOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-26(2)15-13-22(28)24-20-9-5-18(6-10-20)17-19-7-11-21(12-8-19)25-23(29)14-16-27(3)4/h5-12H,13-17H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide?
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide has a molecular weight of 396.54 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide is sourced from PubChem (CID 139956232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).