N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide

C19H22N2O3 — CID 51180214

IUPACN-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NC1CCCc2ccccc21
InChIInChI=1S/C19H22N2O3/c22-18(11-4-12-20-19(23)17-10-5-13-24-17)21-16-9-3-7-14-6-1-2-8-15(14)16/h1-2,5-6,8,10,13,16H,3-4,7,9,11-12H2,(H,20,23)(H,21,22)
InChIKeyZEUXCZAZWXKVNZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.98
Rot. Bonds6

About N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide

N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide (PubChem CID 51180214) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide
PubChem CID51180214
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NC1CCCc2ccccc21
InChIInChI=1S/C19H22N2O3/c22-18(11-4-12-20-19(23)17-10-5-13-24-17)21-16-9-3-7-14-6-1-2-8-15(14)16/h1-2,5-6,8,10,13,16H,3-4,7,9,11-12H2,(H,20,23)(H,21,22)
InChIKeyZEUXCZAZWXKVNZ-UHFFFAOYSA-N
XLogP2.98
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
CID 42987280
2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2410577
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2410575
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
4-methoxy-N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 71768306
2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 41135260

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide?
The IUPAC name of N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide (CID 51180214) is N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)NC1CCCc2ccccc21.
What is the InChIKey of N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide?
The InChIKey is ZEUXCZAZWXKVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(11-4-12-20-19(23)17-10-5-13-24-17)21-16-9-3-7-14-6-1-2-8-15(14)16/h1-2,5-6,8,10,13,16H,3-4,7,9,11-12H2,(H,20,23)(H,21,22).
What are the key properties of N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide?
N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide is sourced from PubChem (CID 51180214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).