N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide

C18H25N5O2 — CID 135104283

IUPACN-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CN(C)CCc2cnn(C)c2)cc1
InChIInChI=1S/C18H25N5O2/c1-14(24)21-17-6-4-15(5-7-17)10-19-18(25)13-22(2)9-8-16-11-20-23(3)12-16/h4-7,11-12H,8-10,13H2,1-3H3,(H,19,25)(H,21,24)
InChIKeyFYXZUTKEELZYGU-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.17
Rot. Bonds8

About N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide

N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide (PubChem CID 135104283) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide
PubChem CID135104283
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CN(C)CCc2cnn(C)c2)cc1
InChIInChI=1S/C18H25N5O2/c1-14(24)21-17-6-4-15(5-7-17)10-19-18(25)13-22(2)9-8-16-11-20-23(3)12-16/h4-7,11-12H,8-10,13H2,1-3H3,(H,19,25)(H,21,24)
InChIKeyFYXZUTKEELZYGU-UHFFFAOYSA-N
XLogP1.17
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzoic acid
CID 103004734
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide
CID 91839245
ethyl 4-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]benzoate
CID 22196150
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648
methyl 4-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]butanoate
CID 103013993
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024241
3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 72909535
3-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 51087989
N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine
CID 77091082
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 39780269
4-[4-[[3-(1-methylpyrazol-4-yl)propanoylamino]methyl]phenoxy]butanoic acid
CID 119247210

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide (CID 135104283) is N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide is CC(=O)Nc1ccc(CNC(=O)CN(C)CCc2cnn(C)c2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide?
The InChIKey is FYXZUTKEELZYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(24)21-17-6-4-15(5-7-17)10-19-18(25)13-22(2)9-8-16-11-20-23(3)12-16/h4-7,11-12H,8-10,13H2,1-3H3,(H,19,25)(H,21,24).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide?
N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide is sourced from PubChem (CID 135104283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).