N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C14H21N3O3 — CID 115964905

IUPACN-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(CO)C2)c(N)c1
InChIInChI=1S/C14H21N3O3/c1-20-11-2-3-13(12(15)6-11)16-14(19)8-17-5-4-10(7-17)9-18/h2-3,6,10,18H,4-5,7-9,15H2,1H3,(H,16,19)
InChIKeySFMOIUXTXZEFTA-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.53
Rot. Bonds5

About N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 115964905) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID115964905
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(CO)C2)c(N)c1
InChIInChI=1S/C14H21N3O3/c1-20-11-2-3-13(12(15)6-11)16-14(19)8-17-5-4-10(7-17)9-18/h2-3,6,10,18H,4-5,7-9,15H2,1H3,(H,16,19)
InChIKeySFMOIUXTXZEFTA-UHFFFAOYSA-N
XLogP0.53
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917017
N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 112624444
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16779432
N-(4-chloro-2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371379
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
CID 114457002
N-(4-amino-2-methoxyphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964875
N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371221
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115647977
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 115964905) is N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCC(CO)C2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is SFMOIUXTXZEFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-20-11-2-3-13(12(15)6-11)16-14(19)8-17-5-4-10(7-17)9-18/h2-3,6,10,18H,4-5,7-9,15H2,1H3,(H,16,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 115964905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).