N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C15H23N3O2 — CID 115964918

IUPACN-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN1CCC(CO)C1
InChIInChI=1S/C15H23N3O2/c1-11-8-13(16)2-3-14(11)17-15(20)5-7-18-6-4-12(9-18)10-19/h2-3,8,12,19H,4-7,9-10,16H2,1H3,(H,17,20)
InChIKeyNFGDGKLOIIFXIB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.22
Rot. Bonds5

About N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 115964918) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID115964918
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN1CCC(CO)C1
InChIInChI=1S/C15H23N3O2/c1-11-8-13(16)2-3-14(11)17-15(20)5-7-18-6-4-12(9-18)10-19/h2-3,8,12,19H,4-7,9-10,16H2,1H3,(H,17,20)
InChIKeyNFGDGKLOIIFXIB-UHFFFAOYSA-N
XLogP1.22
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.22
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-(4-amino-2-methoxyphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964875
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16783001
N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
CID 63166537
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 111543866
N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227238
N-(3-amino-2-methylphenyl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797087
N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 114797132
N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964909
N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590088
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114677873

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 115964918) is N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is Cc1cc(N)ccc1NC(=O)CCN1CCC(CO)C1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is NFGDGKLOIIFXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-8-13(16)2-3-14(11)17-15(20)5-7-18-6-4-12(9-18)10-19/h2-3,8,12,19H,4-7,9-10,16H2,1H3,(H,17,20).
What are the key properties of N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 115964918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).