N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide

C14H21N3O2 — CID 61223798

IUPACN-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
SMILESCOc1cc(N)ccc1NC(=O)CN1CCC(C)C1
InChIInChI=1S/C14H21N3O2/c1-10-5-6-17(8-10)9-14(18)16-12-4-3-11(15)7-13(12)19-2/h3-4,7,10H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyJIVHGHSQAFXNMT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide

N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide (PubChem CID 61223798) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
PubChem CID61223798
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
SMILESCOc1cc(N)ccc1NC(=O)CN1CCC(C)C1
InChIInChI=1S/C14H21N3O2/c1-10-5-6-17(8-10)9-14(18)16-12-4-3-11(15)7-13(12)19-2/h3-4,7,10H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyJIVHGHSQAFXNMT-UHFFFAOYSA-N
XLogP1.56
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
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)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63166002
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62918714
N-(4-amino-2-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81098626
N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
CID 79663611
N-(4-amino-2-methoxyphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964875
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114677873
N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406482
N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
N-(4-amino-2-methoxyphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 18070790

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide (CID 61223798) is N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide is COc1cc(N)ccc1NC(=O)CN1CCC(C)C1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide?
The InChIKey is JIVHGHSQAFXNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-5-6-17(8-10)9-14(18)16-12-4-3-11(15)7-13(12)19-2/h3-4,7,10H,5-6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide?
N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 61223798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).