3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide

C15H24N4O2 — CID 71929848

IUPAC3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
SMILESCN(C)CCC(=O)NCc1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C15H24N4O2/c1-18(2)9-8-14(20)16-11-12-6-5-7-13(10-12)17-15(21)19(3)4/h5-7,10H,8-9,11H2,1-4H3,(H,16,20)(H,17,21)
InChIKeyOSKYDHYEUSHTGY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.35
Rot. Bonds6

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

3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide (PubChem CID 71929848) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
PubChem CID71929848
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
SMILESCN(C)CCC(=O)NCc1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C15H24N4O2/c1-18(2)9-8-14(20)16-11-12-6-5-7-13(10-12)17-15(21)19(3)4/h5-7,10H,8-9,11H2,1-4H3,(H,16,20)(H,17,21)
InChIKeyOSKYDHYEUSHTGY-UHFFFAOYSA-N
XLogP1.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54358571
2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide
CID 75407731
1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186
3-[methyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]propanoic acid
CID 55134853
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119803043
4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 86883417
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119803049
5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822057
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide (CID 71929848) is 3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide is CN(C)CCC(=O)NCc1cccc(NC(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide?
The InChIKey is OSKYDHYEUSHTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(2)9-8-14(20)16-11-12-6-5-7-13(10-12)17-15(21)19(3)4/h5-7,10H,8-9,11H2,1-4H3,(H,16,20)(H,17,21).
What are the key properties of 3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide?
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 71929848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).