N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

C18H26FN3O2 — CID 119590413

IUPACN-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESNCC(NC(=O)CNC(=O)Cc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C18H26FN3O2/c19-15-8-4-5-13(9-15)10-17(23)21-12-18(24)22-16(11-20)14-6-2-1-3-7-14/h4-5,8-9,14,16H,1-3,6-7,10-12,20H2,(H,21,23)(H,22,24)
InChIKeyBQAFCQPHTJKWON-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.51
Rot. Bonds7

About N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 119590413) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
PubChem CID119590413
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESNCC(NC(=O)CNC(=O)Cc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C18H26FN3O2/c19-15-8-4-5-13(9-15)10-17(23)21-12-18(24)22-16(11-20)14-6-2-1-3-7-14/h4-5,8-9,14,16H,1-3,6-7,10-12,20H2,(H,21,23)(H,22,24)
InChIKeyBQAFCQPHTJKWON-UHFFFAOYSA-N
XLogP1.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide
CID 63767831
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119589813
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119590822
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide
CID 111464107
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052
N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide
CID 126828936
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
N-(2-amino-1-cyclohexylethyl)-2-naphthalen-1-ylacetamide
CID 119591137
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (CID 119590413) is N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is NCC(NC(=O)CNC(=O)Cc1cccc(F)c1)C1CCCCC1.
What is the InChIKey of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is BQAFCQPHTJKWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c19-15-8-4-5-13(9-15)10-17(23)21-12-18(24)22-16(11-20)14-6-2-1-3-7-14/h4-5,8-9,14,16H,1-3,6-7,10-12,20H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 335.42 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 119590413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).