N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide

C16H25N3O2 — CID 102777659

IUPACN-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCC(C)C1CO
InChIInChI=1S/C16H25N3O2/c1-11-3-4-13(17)9-14(11)18-16(21)6-8-19-7-5-12(2)15(19)10-20/h3-4,9,12,15,20H,5-8,10,17H2,1-2H3,(H,18,21)
InChIKeyONCBHTRGFUJXAP-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.61
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide

N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide (PubChem CID 102777659) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
PubChem CID102777659
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCC(C)C1CO
InChIInChI=1S/C16H25N3O2/c1-11-3-4-13(17)9-14(11)18-16(21)6-8-19-7-5-12(2)15(19)10-20/h3-4,9,12,15,20H,5-8,10,17H2,1-2H3,(H,18,21)
InChIKeyONCBHTRGFUJXAP-UHFFFAOYSA-N
XLogP1.61
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777811
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102788769
N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
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N-(5-amino-2-methylphenyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)propanamide
CID 120568858
N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
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N-(5-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62330463
N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81099067
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide (CID 102777659) is N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide is Cc1ccc(N)cc1NC(=O)CCN1CCC(C)C1CO.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The InChIKey is ONCBHTRGFUJXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-3-4-13(17)9-14(11)18-16(21)6-8-19-7-5-12(2)15(19)10-20/h3-4,9,12,15,20H,5-8,10,17H2,1-2H3,(H,18,21).
What are the key properties of N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 102777659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).