N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide

C22H25N3O3 — CID 94166195

IUPACN-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)c(C)c1
InChIInChI=1S/C22H25N3O3/c1-5-23-21(26)16-10-11-18(13(2)12-16)25-22(27)24-15(4)20-14(3)17-8-6-7-9-19(17)28-20/h6-12,15H,5H2,1-4H3,(H,23,26)(H2,24,25,27)/t15-/m0/s1
InChIKeyRLBYYRSNCZVEGS-HNNXBMFYSA-N
MW379.46 g/mol
LogP4.68
Rot. Bonds5

About N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide

N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide (PubChem CID 94166195) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
PubChem CID94166195
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)c(C)c1
InChIInChI=1S/C22H25N3O3/c1-5-23-21(26)16-10-11-18(13(2)12-16)25-22(27)24-15(4)20-14(3)17-8-6-7-9-19(17)28-20/h6-12,15H,5H2,1-4H3,(H,23,26)(H2,24,25,27)/t15-/m0/s1
InChIKeyRLBYYRSNCZVEGS-HNNXBMFYSA-N
XLogP4.68
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide with MolForge

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Related Compounds

4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 119047574
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778207
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
N,N-dimethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 166532128
N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide
CID 125177536
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyloxetan-3-yl)urea
CID 166532779
2-methyl-3-(methylamino)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119737278
2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119296949
N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide
CID 71870372
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea
CID 166280594

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide?
The IUPAC name of N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide (CID 94166195) is N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide.
What is the SMILES notation for N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide?
The canonical SMILES for N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide is CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide?
The InChIKey is RLBYYRSNCZVEGS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-5-23-21(26)16-10-11-18(13(2)12-16)25-22(27)24-15(4)20-14(3)17-8-6-7-9-19(17)28-20/h6-12,15H,5H2,1-4H3,(H,23,26)(H2,24,25,27)/t15-/m0/s1.
What are the key properties of N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide?
N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide has a molecular weight of 379.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide is sourced from PubChem (CID 94166195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).