N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide

C18H25ClN4O2 — CID 55916272

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(=O)NCCOc1ccc(Cl)cc1)Cc1cnn(C)c1
InChIInChI=1S/C18H25ClN4O2/c1-14(2)23(12-15-10-21-22(3)11-15)13-18(24)20-8-9-25-17-6-4-16(19)5-7-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,20,24)
InChIKeySEGBXKOJAQUCNQ-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.48
Rot. Bonds9

About N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide

N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide (PubChem CID 55916272) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide
PubChem CID55916272
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(=O)NCCOc1ccc(Cl)cc1)Cc1cnn(C)c1
InChIInChI=1S/C18H25ClN4O2/c1-14(2)23(12-15-10-21-22(3)11-15)13-18(24)20-8-9-25-17-6-4-16(19)5-7-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,20,24)
InChIKeySEGBXKOJAQUCNQ-UHFFFAOYSA-N
XLogP2.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 34152876
2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56816908
N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 71993780
N-(4-methoxy-2-nitrophenyl)-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 55916017
N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 51183315
2-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl-propan-2-ylamino]acetic acid
CID 122043892
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395
1-[2-(4-chlorophenoxy)ethyl]-3-ethyl-1-methyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111308505
2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 47045575
1-[2-(4-chlorophenoxy)ethyl]-3-ethyl-1-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111308606
N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692956

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide (CID 55916272) is N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide is CC(C)N(CC(=O)NCCOc1ccc(Cl)cc1)Cc1cnn(C)c1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide?
The InChIKey is SEGBXKOJAQUCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-14(2)23(12-15-10-21-22(3)11-15)13-18(24)20-8-9-25-17-6-4-16(19)5-7-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide has a molecular weight of 364.88 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 55916272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).