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

C18H20N2O3 — CID 42987280

IUPACN-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C18H20N2O3/c1-12(19-18(22)16-10-5-11-23-16)17(21)20-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,19,22)(H,20,21)/t12-,15?/m0/s1
InChIKeyLPKPALPRBFXDFF-SFVWDYPZSA-N
MW312.37 g/mol
LogP2.59
Rot. Bonds4

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

N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide (PubChem CID 42987280) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
PubChem CID42987280
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C18H20N2O3/c1-12(19-18(22)16-10-5-11-23-16)17(21)20-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,19,22)(H,20,21)/t12-,15?/m0/s1
InChIKeyLPKPALPRBFXDFF-SFVWDYPZSA-N
XLogP2.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide
CID 51180214
2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 42911776
N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 167861753
2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid
CID 120532925
N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
CID 119452707
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
4-chloro-3-nitro-N-[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]benzamide
CID 8927013
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
(1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 97225481
N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
CID 4783472

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide (CID 42987280) is N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)C(=O)NC1CCCc2ccccc21.
What is the InChIKey of N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide?
The InChIKey is LPKPALPRBFXDFF-SFVWDYPZSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(19-18(22)16-10-5-11-23-16)17(21)20-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,19,22)(H,20,21)/t12-,15?/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide?
N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42987280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).