N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

C16H25N3O2 — CID 62467867

IUPACN-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(N)ccc1NC(=O)CN1CCCC1CCCO
InChIInChI=1S/C16H25N3O2/c1-12-10-13(17)6-7-15(12)18-16(21)11-19-8-2-4-14(19)5-3-9-20/h6-7,10,14,20H,2-5,8-9,11,17H2,1H3,(H,18,21)
InChIKeyWSPIJCQOAHUZOE-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.75
Rot. Bonds6

About N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (PubChem CID 62467867) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
PubChem CID62467867
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(N)ccc1NC(=O)CN1CCCC1CCCO
InChIInChI=1S/C16H25N3O2/c1-12-10-13(17)6-7-15(12)18-16(21)11-19-8-2-4-14(19)5-3-9-20/h6-7,10,14,20H,2-5,8-9,11,17H2,1H3,(H,18,21)
InChIKeyWSPIJCQOAHUZOE-UHFFFAOYSA-N
XLogP1.75
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.75
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-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882930
N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
CID 104689012
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(4-amino-2-methylphenyl)acetamide
CID 65319594
N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467691
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 110919010
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407752
N-(4-chloro-2-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466914
N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227238
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110918990
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111431815
N-(2,3-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466913

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (CID 62467867) is N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is Cc1cc(N)ccc1NC(=O)CN1CCCC1CCCO.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The InChIKey is WSPIJCQOAHUZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-10-13(17)6-7-15(12)18-16(21)11-19-8-2-4-14(19)5-3-9-20/h6-7,10,14,20H,2-5,8-9,11,17H2,1H3,(H,18,21).
What are the key properties of N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.75, 6 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)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62467867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).