(2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide

C14H20F2N2O2 — CID 103831064

IUPAC(2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-2-3-4-12(17)13(19)18-9-10-5-7-11(8-6-10)20-14(15)16/h5-8,12,14H,2-4,9,17H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyRSCKDELBZMVRRF-LBPRGKRZSA-N
MW286.32 g/mol
LogP2.42
Rot. Bonds8

About (2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide

(2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide (PubChem CID 103831064) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide
PubChem CID103831064
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name(2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-2-3-4-12(17)13(19)18-9-10-5-7-11(8-6-10)20-14(15)16/h5-8,12,14H,2-4,9,17H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyRSCKDELBZMVRRF-LBPRGKRZSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
CID 79012907
2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 65229370
2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119689663
2-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pentanamide
CID 119322060
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
(2S)-2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119311563
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide (CID 103831064) is (2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide is CCCC[C@H](N)C(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of (2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide?
The InChIKey is RSCKDELBZMVRRF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-2-3-4-12(17)13(19)18-9-10-5-7-11(8-6-10)20-14(15)16/h5-8,12,14H,2-4,9,17H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide?
(2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide has a molecular weight of 286.32 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide is sourced from PubChem (CID 103831064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).