N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide

C17H18N2O2 — CID 60814390

IUPACN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide
SMILESCc1cc(C#CCN)ccc1NC(=O)CCc1ccco1
InChIInChI=1S/C17H18N2O2/c1-13-12-14(4-2-10-18)6-8-16(13)19-17(20)9-7-15-5-3-11-21-15/h3,5-6,8,11-12H,7,9-10,18H2,1H3,(H,19,20)
InChIKeyUPOGNERQJSMSBF-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.47
Rot. Bonds4

About N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide (PubChem CID 60814390) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide
PubChem CID60814390
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide
SMILESCc1cc(C#CCN)ccc1NC(=O)CCc1ccco1
InChIInChI=1S/C17H18N2O2/c1-13-12-14(4-2-10-18)6-8-16(13)19-17(20)9-7-15-5-3-11-21-15/h3,5-6,8,11-12H,7,9-10,18H2,1H3,(H,19,20)
InChIKeyUPOGNERQJSMSBF-UHFFFAOYSA-N
XLogP2.47
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide
CID 107578437
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methoxypropanamide
CID 62589692
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-propoxypropanamide
CID 62715476
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(oxolan-2-yl)propanamide
CID 65160457
3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60802956
methyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
CID 60813432
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-3-(furan-2-yl)propanamide
CID 104780887
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propan-2-yloxyacetamide
CID 112603664
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021948
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-tert-butylsulfanylacetamide
CID 60814387
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide
CID 107940419
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide
CID 60813372

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide (CID 60814390) is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide is Cc1cc(C#CCN)ccc1NC(=O)CCc1ccco1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide?
The InChIKey is UPOGNERQJSMSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-12-14(4-2-10-18)6-8-16(13)19-17(20)9-7-15-5-3-11-21-15/h3,5-6,8,11-12H,7,9-10,18H2,1H3,(H,19,20).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide?
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide has a molecular weight of 282.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 60814390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).