N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide

C19H24N2O2 — CID 110416090

IUPACN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2cc(C)n(C3CC3)c2C)cc1
InChIInChI=1S/C19H24N2O2/c1-13-4-8-18(9-5-13)23-12-19(22)20-11-16-10-14(2)21(15(16)3)17-6-7-17/h4-5,8-10,17H,6-7,11-12H2,1-3H3,(H,20,22)
InChIKeyMUCRAVAMPMUHJQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.44
Rot. Bonds6

About N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide

N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 110416090) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
PubChem CID110416090
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2cc(C)n(C3CC3)c2C)cc1
InChIInChI=1S/C19H24N2O2/c1-13-4-8-18(9-5-13)23-12-19(22)20-11-16-10-14(2)21(15(16)3)17-6-7-17/h4-5,8-10,17H,6-7,11-12H2,1-3H3,(H,20,22)
InChIKeyMUCRAVAMPMUHJQ-UHFFFAOYSA-N
XLogP3.44
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110712110
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110641784
1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
CID 110775535
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide
CID 110786230
1-(4-chlorophenyl)-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
CID 110416084
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 9428045
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide
CID 110641674
N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[2-(4-methylphenoxy)ethylsulfanyl]ethanone
CID 55352174
N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
CID 115636840

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide (CID 110416090) is N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCc2cc(C)n(C3CC3)c2C)cc1.
What is the InChIKey of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is MUCRAVAMPMUHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-4-8-18(9-5-13)23-12-19(22)20-11-16-10-14(2)21(15(16)3)17-6-7-17/h4-5,8-10,17H,6-7,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 312.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110416090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).