2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide

C16H24F2N2O3 — CID 119767861

IUPAC2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C16H24F2N2O3/c1-4-10(2)14(19)15(21)20-8-7-11-5-6-12(22-3)13(9-11)23-16(17)18/h5-6,9-10,14,16H,4,7-8,19H2,1-3H3,(H,20,21)
InChIKeyNGPWYCJIVLRXGQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.33
Rot. Bonds9

About 2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide

2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide (PubChem CID 119767861) has the molecular formula C16H24F2N2O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide
PubChem CID119767861
Molecular FormulaC16H24F2N2O3
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C16H24F2N2O3/c1-4-10(2)14(19)15(21)20-8-7-11-5-6-12(22-3)13(9-11)23-16(17)18/h5-6,9-10,14,16H,4,7-8,19H2,1-3H3,(H,20,21)
InChIKeyNGPWYCJIVLRXGQ-UHFFFAOYSA-N
XLogP2.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
CID 61259364
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride
CID 119716020
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95282179
3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951056
N-[(2S,3S)-1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24549048
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
(3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide
CID 59965556
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
CID 64866198
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
1-amino-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 65464069

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide (CID 119767861) is 2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCCc1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of 2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide?
The InChIKey is NGPWYCJIVLRXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3/c1-4-10(2)14(19)15(21)20-8-7-11-5-6-12(22-3)13(9-11)23-16(17)18/h5-6,9-10,14,16H,4,7-8,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide?
2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide has a molecular weight of 330.38 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide is sourced from PubChem (CID 119767861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).