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

C22H27N3O2 — CID 42891543

IUPACN-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(=O)NC(C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H27N3O2/c1-15(19-12-11-17-5-3-4-6-20(17)13-19)25-22(27)24-14-16-7-9-18(10-8-16)21(26)23-2/h7-13,15H,3-6,14H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyNEDQSGVOOZLMJR-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.49
Rot. Bonds5

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

N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide (PubChem CID 42891543) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide
PubChem CID42891543
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(=O)NC(C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H27N3O2/c1-15(19-12-11-17-5-3-4-6-20(17)13-19)25-22(27)24-14-16-7-9-18(10-8-16)21(26)23-2/h7-13,15H,3-6,14H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyNEDQSGVOOZLMJR-UHFFFAOYSA-N
XLogP3.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108899407
4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 78808360
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide
CID 134006337
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110892252
1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483368
N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
CID 9395259
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide (CID 42891543) is N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide is CNC(=O)c1ccc(CNC(=O)NC(C)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide?
The InChIKey is NEDQSGVOOZLMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(19-12-11-17-5-3-4-6-20(17)13-19)25-22(27)24-14-16-7-9-18(10-8-16)21(26)23-2/h7-13,15H,3-6,14H2,1-2H3,(H,23,26)(H2,24,25,27).
What are the key properties of N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide?
N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide is sourced from PubChem (CID 42891543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).