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

C15H24N4O2 — CID 63166002

IUPACN-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
SMILESCOc1cc(N)ccc1NC(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C15H24N4O2/c1-18(2)12-6-7-19(9-12)10-15(20)17-13-5-4-11(16)8-14(13)21-3/h4-5,8,12H,6-7,9-10,16H2,1-3H3,(H,17,20)
InChIKeyOLBFSDLHFYOFPD-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.85
Rot. Bonds5

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

N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide (PubChem CID 63166002) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
PubChem CID63166002
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
SMILESCOc1cc(N)ccc1NC(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C15H24N4O2/c1-18(2)12-6-7-19(9-12)10-15(20)17-13-5-4-11(16)8-14(13)21-3/h4-5,8,12H,6-7,9-10,16H2,1-3H3,(H,17,20)
InChIKeyOLBFSDLHFYOFPD-UHFFFAOYSA-N
XLogP0.85
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 61223798
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63165957
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-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173
N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
CID 79663611
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131904290
N-(4-amino-2-methoxyphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964875
N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
CID 63166537
N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
CID 28786654
N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406482

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide (CID 63166002) is N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide is COc1cc(N)ccc1NC(=O)CN1CCC(N(C)C)C1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is OLBFSDLHFYOFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(2)12-6-7-19(9-12)10-15(20)17-13-5-4-11(16)8-14(13)21-3/h4-5,8,12H,6-7,9-10,16H2,1-3H3,(H,17,20).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 63166002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).