N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide

C16H26N4O — CID 63166537

IUPACN-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCC(N(C)C)C1
InChIInChI=1S/C16H26N4O/c1-12-4-5-13(17)10-15(12)18-16(21)7-9-20-8-6-14(11-20)19(2)3/h4-5,10,14H,6-9,11,17H2,1-3H3,(H,18,21)
InChIKeyKOCOLTBAKQZYJC-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.54
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide

N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide (PubChem CID 63166537) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
PubChem CID63166537
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCC(N(C)C)C1
InChIInChI=1S/C16H26N4O/c1-12-4-5-13(17)10-15(12)18-16(21)7-9-20-8-6-14(11-20)19(2)3/h4-5,10,14H,6-9,11,17H2,1-3H3,(H,18,21)
InChIKeyKOCOLTBAKQZYJC-UHFFFAOYSA-N
XLogP1.54
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.54
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-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81099067
N-(5-amino-2-methylphenyl)-3-(1,4-thiazepan-4-yl)propanamide
CID 61418422
N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964918
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64681109
N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63166002
N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777659
N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 16779127
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide (CID 63166537) is N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide is Cc1ccc(N)cc1NC(=O)CCN1CCC(N(C)C)C1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide?
The InChIKey is KOCOLTBAKQZYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-4-5-13(17)10-15(12)18-16(21)7-9-20-8-6-14(11-20)19(2)3/h4-5,10,14H,6-9,11,17H2,1-3H3,(H,18,21).
What are the key properties of N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide?
N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 63166537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).