2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide

C14H18F2N2O2 — CID 61250290

IUPAC2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
SMILESCC(N)(C(=O)NCc1ccc(OC(F)F)cc1)C1CC1
InChIInChI=1S/C14H18F2N2O2/c1-14(17,10-4-5-10)12(19)18-8-9-2-6-11(7-3-9)20-13(15)16/h2-3,6-7,10,13H,4-5,8,17H2,1H3,(H,18,19)
InChIKeySEKXQMXHGVGGPE-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.03
Rot. Bonds6

About 2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide

2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide (PubChem CID 61250290) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
PubChem CID61250290
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
SMILESCC(N)(C(=O)NCc1ccc(OC(F)F)cc1)C1CC1
InChIInChI=1S/C14H18F2N2O2/c1-14(17,10-4-5-10)12(19)18-8-9-2-6-11(7-3-9)20-13(15)16/h2-3,6-7,10,13H,4-5,8,17H2,1H3,(H,18,19)
InChIKeySEKXQMXHGVGGPE-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 60938157
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016
4-[[4-(difluoromethoxy)phenyl]methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302546
2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 60703371
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 64822466
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 46491652
(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
CID 79012907
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 65229370
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784359

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide (CID 61250290) is 2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide is CC(N)(C(=O)NCc1ccc(OC(F)F)cc1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is SEKXQMXHGVGGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-14(17,10-4-5-10)12(19)18-8-9-2-6-11(7-3-9)20-13(15)16/h2-3,6-7,10,13H,4-5,8,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 284.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 61250290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).