2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide

C22H27N3O2 — CID 3972682

IUPAC2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide
SMILESCC1CCCCC1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-16-9-5-7-13-19(16)23-15-21(26)25-20-14-8-6-12-18(20)22(27)24-17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19,23H,5,7,9,13,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyYDNOWTUPSNIEFG-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.05
Rot. Bonds6

About 2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide

2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide (PubChem CID 3972682) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide
PubChem CID3972682
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide
SMILESCC1CCCCC1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-16-9-5-7-13-19(16)23-15-21(26)25-20-14-8-6-12-18(20)22(27)24-17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19,23H,5,7,9,13,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyYDNOWTUPSNIEFG-UHFFFAOYSA-N
XLogP4.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide (CID 3972682) is 2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide is CC1CCCCC1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is YDNOWTUPSNIEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-9-5-7-13-19(16)23-15-21(26)25-20-14-8-6-12-18(20)22(27)24-17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19,23H,5,7,9,13,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide?
2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylcyclohexyl)amino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 3972682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).