N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide

C16H20N2O2 — CID 2981957

IUPACN-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(N(C)C)cc2)o1
InChIInChI=1S/C16H20N2O2/c1-12-4-9-15(20-12)10-11-16(19)17-13-5-7-14(8-6-13)18(2)3/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyMJZUXKCDYWODDA-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.23
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide

N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide (PubChem CID 2981957) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide
PubChem CID2981957
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(N(C)C)cc2)o1
InChIInChI=1S/C16H20N2O2/c1-12-4-9-15(20-12)10-11-16(19)17-13-5-7-14(8-6-13)18(2)3/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyMJZUXKCDYWODDA-UHFFFAOYSA-N
XLogP3.23
TPSA45.48 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 565664
N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 754985
4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 21716122
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 729147
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 942336
N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2865500
3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide
CID 2887620
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
{4-[3-(5-Methyl-furan-2-yl)-propionylamino]-phenyl}-acetic acid
CID 2988586
N-(3,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 6489243

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide (CID 2981957) is N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(N(C)C)cc2)o1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is MJZUXKCDYWODDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-4-9-15(20-12)10-11-16(19)17-13-5-7-14(8-6-13)18(2)3/h4-9H,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide?
N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 2981957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).