N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide

C18H25N3O2 — CID 119583971

IUPACN-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)N(C)C(C)CN)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-12-10-17(18(22)20(4)13(2)11-19)14(3)21(12)15-6-8-16(23-5)9-7-15/h6-10,13H,11,19H2,1-5H3
InChIKeyXHSSPXFBFNDNTL-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.52
Rot. Bonds5

About N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide

N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 119583971) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
PubChem CID119583971
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)N(C)C(C)CN)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-12-10-17(18(22)20(4)13(2)11-19)14(3)21(12)15-6-8-16(23-5)9-7-15/h6-10,13H,11,19H2,1-5H3
InChIKeyXHSSPXFBFNDNTL-UHFFFAOYSA-N
XLogP2.52
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminopropan-2-yl)-N,2,5-trimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 119583884
N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 119655571
2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119206183
N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 119583586
2-[cyclopropyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119195068
N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391
2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119171465
N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride
CID 119581718
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119633449
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 119633448
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-methoxyphenoxy)ethanone
CID 110656356
N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 42925003

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide (CID 119583971) is N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide is COc1ccc(-n2c(C)cc(C(=O)N(C)C(C)CN)c2C)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is XHSSPXFBFNDNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-10-17(18(22)20(4)13(2)11-19)14(3)21(12)15-6-8-16(23-5)9-7-15/h6-10,13H,11,19H2,1-5H3.
What are the key properties of N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 119583971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).