N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide

C19H28FN3O2 — CID 97133447

IUPACN-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide
SMILESCN(C)[C@H](C(=O)NCCC(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C19H28FN3O2/c1-23(2)18(15-10-6-7-11-16(15)20)19(25)21-13-12-17(24)22-14-8-4-3-5-9-14/h6-7,10-11,14,18H,3-5,8-9,12-13H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1
InChIKeyLDXASBZTASNYKE-SFHVURJKSA-N
MW349.45 g/mol
LogP2.38
Rot. Bonds7

About N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide

N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide (PubChem CID 97133447) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide
PubChem CID97133447
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC NameN-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide
SMILESCN(C)[C@H](C(=O)NCCC(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C19H28FN3O2/c1-23(2)18(15-10-6-7-11-16(15)20)19(25)21-13-12-17(24)22-14-8-4-3-5-9-14/h6-7,10-11,14,18H,3-5,8-9,12-13H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1
InChIKeyLDXASBZTASNYKE-SFHVURJKSA-N
XLogP2.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60673176
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CID 72891697
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
N-cyclohexyl-3-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]propanamide
CID 111267039
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 4642384
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
CID 98309633
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide (CID 97133447) is N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide is CN(C)[C@H](C(=O)NCCC(=O)NC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide?
The InChIKey is LDXASBZTASNYKE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-23(2)18(15-10-6-7-11-16(15)20)19(25)21-13-12-17(24)22-14-8-4-3-5-9-14/h6-7,10-11,14,18H,3-5,8-9,12-13H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1.
What are the key properties of N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide?
N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide has a molecular weight of 349.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide is sourced from PubChem (CID 97133447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).