2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide

C18H26N6O2 — CID 72892647

IUPAC2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide
SMILESCCC(NC(=O)Nc1cccc(NC(=O)CN(C)C)c1)c1ccnn1C
InChIInChI=1S/C18H26N6O2/c1-5-15(16-9-10-19-24(16)4)22-18(26)21-14-8-6-7-13(11-14)20-17(25)12-23(2)3/h6-11,15H,5,12H2,1-4H3,(H,20,25)(H2,21,22,26)
InChIKeyXVXKETXZKPNUPV-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.19
Rot. Bonds7

About 2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide

2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide (PubChem CID 72892647) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide
PubChem CID72892647
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide
SMILESCCC(NC(=O)Nc1cccc(NC(=O)CN(C)C)c1)c1ccnn1C
InChIInChI=1S/C18H26N6O2/c1-5-15(16-9-10-19-24(16)4)22-18(26)21-14-8-6-7-13(11-14)20-17(25)12-23(2)3/h6-11,15H,5,12H2,1-4H3,(H,20,25)(H2,21,22,26)
InChIKeyXVXKETXZKPNUPV-UHFFFAOYSA-N
XLogP2.19
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea
CID 125165681
1-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]urea
CID 126446008
2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 91796797
1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 97454459
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 135119204
(2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide
CID 131922859
1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea
CID 118766700
1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 72922256
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide
CID 169356675
2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
CID 95121354
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126425657

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide (CID 72892647) is 2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide is CCC(NC(=O)Nc1cccc(NC(=O)CN(C)C)c1)c1ccnn1C.
What is the InChIKey of 2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide?
The InChIKey is XVXKETXZKPNUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-5-15(16-9-10-19-24(16)4)22-18(26)21-14-8-6-7-13(11-14)20-17(25)12-23(2)3/h6-11,15H,5,12H2,1-4H3,(H,20,25)(H2,21,22,26).
What are the key properties of 2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide?
2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 72892647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).