N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide

C16H20N2O2 — CID 43135941

IUPACN-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(N(CCCN)C(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-7-14(8-5-12)18(11-3-10-17)16(19)15-9-6-13(2)20-15/h4-9H,3,10-11,17H2,1-2H3
InChIKeyGYHRSFHWTQAXGV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.89
Rot. Bonds5

About N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide

N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide (PubChem CID 43135941) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide
PubChem CID43135941
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(N(CCCN)C(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-7-14(8-5-12)18(11-3-10-17)16(19)15-9-6-13(2)20-15/h4-9H,3,10-11,17H2,1-2H3
InChIKeyGYHRSFHWTQAXGV-UHFFFAOYSA-N
XLogP2.89
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide
CID 107206681
N-(3-aminopropyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 43136432
1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
CID 43318692
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
CID 107493288
N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 106825938
N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 79095264
N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide
CID 28780453
N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
CID 43135936
N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
CID 107174469
5-methyl-N,N-dipentylfuran-2-carboxamide
CID 3319656
2-[N-(3-aminopropyl)-4-methylanilino]acetic acid
CID 63654241

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide (CID 43135941) is N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide is Cc1ccc(N(CCCN)C(=O)c2ccc(C)o2)cc1.
What is the InChIKey of N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is GYHRSFHWTQAXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-4-7-14(8-5-12)18(11-3-10-17)16(19)15-9-6-13(2)20-15/h4-9H,3,10-11,17H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide?
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 43135941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).