N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide

C14H22N4O2 — CID 108884144

IUPACN-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCCN(C)C)c1
InChIInChI=1S/C14H22N4O2/c1-11(19)16-12-6-4-7-13(10-12)17-14(20)15-8-5-9-18(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,19)(H2,15,17,20)
InChIKeyXGIVAPHIODBMFR-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.72
Rot. Bonds6

About N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide

N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide (PubChem CID 108884144) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
PubChem CID108884144
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCCN(C)C)c1
InChIInChI=1S/C14H22N4O2/c1-11(19)16-12-6-4-7-13(10-12)17-14(20)15-8-5-9-18(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,19)(H2,15,17,20)
InChIKeyXGIVAPHIODBMFR-UHFFFAOYSA-N
XLogP1.72
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016980
2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995310
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944268
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108884258
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725
1-[3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896244
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide (CID 108884144) is N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCCCN(C)C)c1.
What is the InChIKey of N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide?
The InChIKey is XGIVAPHIODBMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(19)16-12-6-4-7-13(10-12)17-14(20)15-8-5-9-18(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,19)(H2,15,17,20).
What are the key properties of N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide?
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108884144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).