N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide

C16H18N2O3 — CID 9481826

IUPACN-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)N[C@@H](C)c2ccco2)c1
InChIInChI=1S/C16H18N2O3/c1-11-5-3-6-13(9-11)16(20)17-10-15(19)18-12(2)14-7-4-8-21-14/h3-9,12H,10H2,1-2H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyNLPODLMILHVJRL-LBPRGKRZSA-N
MW286.33 g/mol
LogP2.20
Rot. Bonds5

About N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 9481826) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID9481826
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)N[C@@H](C)c2ccco2)c1
InChIInChI=1S/C16H18N2O3/c1-11-5-3-6-13(9-11)16(20)17-10-15(19)18-12(2)14-7-4-8-21-14/h3-9,12H,10H2,1-2H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyNLPODLMILHVJRL-LBPRGKRZSA-N
XLogP2.20
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 46654447
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 24982269
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide
CID 8733376
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide
CID 134050575
4-hydroxy-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 61242923
N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 8963066
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide (CID 9481826) is N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)N[C@@H](C)c2ccco2)c1.
What is the InChIKey of N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is NLPODLMILHVJRL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-5-3-6-13(9-11)16(20)17-10-15(19)18-12(2)14-7-4-8-21-14/h3-9,12H,10H2,1-2H3,(H,17,20)(H,18,19)/t12-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 9481826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).