N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide

C14H21N3O2 — CID 62941496

IUPACN-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)N1CCC(O)C1
InChIInChI=1S/C14H21N3O2/c1-9-3-4-11(15)7-13(9)16-14(19)10(2)17-6-5-12(18)8-17/h3-4,7,10,12,18H,5-6,8,15H2,1-2H3,(H,16,19)
InChIKeyDKYWBDKDNXOSEV-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.97
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide

N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide (PubChem CID 62941496) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
PubChem CID62941496
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)N1CCC(O)C1
InChIInChI=1S/C14H21N3O2/c1-9-3-4-11(15)7-13(9)16-14(19)10(2)17-6-5-12(18)8-17/h3-4,7,10,12,18H,5-6,8,15H2,1-2H3,(H,16,19)
InChIKeyDKYWBDKDNXOSEV-UHFFFAOYSA-N
XLogP0.97
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.97
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-(3-hydroxypiperidin-1-yl)propanamide
CID 43575281
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114677853
N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333977
N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355465
N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106667934
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
CID 120569030
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110020032
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide (CID 62941496) is N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide is Cc1ccc(N)cc1NC(=O)C(C)N1CCC(O)C1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
The InChIKey is DKYWBDKDNXOSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-3-4-11(15)7-13(9)16-14(19)10(2)17-6-5-12(18)8-17/h3-4,7,10,12,18H,5-6,8,15H2,1-2H3,(H,16,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.97, 3 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)-2-(3-hydroxypyrrolidin-1-yl)propanamide is sourced from PubChem (CID 62941496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).