4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

C21H25N3O2 — CID 78808360

IUPAC4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25N3O2/c1-14(18-11-10-16-4-2-3-5-19(16)12-18)24-20(25)17-8-6-15(7-9-17)13-23-21(22)26/h6-12,14H,2-5,13H2,1H3,(H,24,25)(H3,22,23,26)
InChIKeyQRLYOXPMIFWDKV-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.22
Rot. Bonds5

About 4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (PubChem CID 78808360) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
PubChem CID78808360
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25N3O2/c1-14(18-11-10-16-4-2-3-5-19(16)12-18)24-20(25)17-8-6-15(7-9-17)13-23-21(22)26/h6-12,14H,2-5,13H2,1H3,(H,24,25)(H3,22,23,26)
InChIKeyQRLYOXPMIFWDKV-UHFFFAOYSA-N
XLogP3.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide
CID 42891543
4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886527
4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 78775923
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 133188888
4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
1-[(4-bromophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108899407
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
4-(benzenesulfonylmethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55756465
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 31735604

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (CID 78808360) is 4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The InChIKey is QRLYOXPMIFWDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(18-11-10-16-4-2-3-5-19(16)12-18)24-20(25)17-8-6-15(7-9-17)13-23-21(22)26/h6-12,14H,2-5,13H2,1H3,(H,24,25)(H3,22,23,26).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is sourced from PubChem (CID 78808360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).