N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide

C16H25N3O2 — CID 79177188

IUPACN-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)N1CC(C)C(C)C1
InChIInChI=1S/C16H25N3O2/c1-10-8-19(9-11(10)2)12(3)16(20)18-14-6-5-13(17)7-15(14)21-4/h5-7,10-12H,8-9,17H2,1-4H3,(H,18,20)
InChIKeySRULROHKRCJOOG-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.19
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide

N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide (PubChem CID 79177188) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
PubChem CID79177188
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)N1CC(C)C(C)C1
InChIInChI=1S/C16H25N3O2/c1-10-8-19(9-11(10)2)12(3)16(20)18-14-6-5-13(17)7-15(14)21-4/h5-7,10-12H,8-9,17H2,1-4H3,(H,18,20)
InChIKeySRULROHKRCJOOG-UHFFFAOYSA-N
XLogP2.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.19
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-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188944
N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106667934
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114677853
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583
N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide
CID 82224747
N-(4-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 54852607
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(2-amino-4-methoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779396
N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
CID 103282970
N-(4-amino-2-methoxyphenyl)-2-morpholin-4-ylbutanamide
CID 82224744
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide (CID 79177188) is N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide is COc1cc(N)ccc1NC(=O)C(C)N1CC(C)C(C)C1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide?
The InChIKey is SRULROHKRCJOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-8-19(9-11(10)2)12(3)16(20)18-14-6-5-13(17)7-15(14)21-4/h5-7,10-12H,8-9,17H2,1-4H3,(H,18,20).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide?
N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 2.19, 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-(3,4-dimethylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 79177188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).