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

C19H28FN3O2 — CID 86885988

IUPAC3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide
SMILESNC(=O)CN(CCC(=O)Nc1cccc(F)c1)CCC1CCCCC1
InChIInChI=1S/C19H28FN3O2/c20-16-7-4-8-17(13-16)22-19(25)10-12-23(14-18(21)24)11-9-15-5-2-1-3-6-15/h4,7-8,13,15H,1-3,5-6,9-12,14H2,(H2,21,24)(H,22,25)
InChIKeyKKCHEXHYHVRLRQ-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.91
Rot. Bonds9

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

3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide (PubChem CID 86885988) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide
PubChem CID86885988
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide
SMILESNC(=O)CN(CCC(=O)Nc1cccc(F)c1)CCC1CCCCC1
InChIInChI=1S/C19H28FN3O2/c20-16-7-4-8-17(13-16)22-19(25)10-12-23(14-18(21)24)11-9-15-5-2-1-3-6-15/h4,7-8,13,15H,1-3,5-6,9-12,14H2,(H2,21,24)(H,22,25)
InChIKeyKKCHEXHYHVRLRQ-UHFFFAOYSA-N
XLogP2.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
CID 43656451
2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 107440293
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
CID 90483417
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632
N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide
CID 173222069
3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
CID 126824367
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 71869057
N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride
CID 120663420

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide (CID 86885988) is 3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide is NC(=O)CN(CCC(=O)Nc1cccc(F)c1)CCC1CCCCC1.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide?
The InChIKey is KKCHEXHYHVRLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c20-16-7-4-8-17(13-16)22-19(25)10-12-23(14-18(21)24)11-9-15-5-2-1-3-6-15/h4,7-8,13,15H,1-3,5-6,9-12,14H2,(H2,21,24)(H,22,25).
What are the key properties of 3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide?
3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide has a molecular weight of 349.45 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 86885988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).