2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide

C16H23F2N3O3 — CID 95054929

IUPAC2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=O)N[C@H](C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H23F2N3O3/c1-10(2)8-19-14(22)9-20-16(23)21-11(3)12-4-6-13(7-5-12)24-15(17)18/h4-7,10-11,15H,8-9H2,1-3H3,(H,19,22)(H2,20,21,23)/t11-/m1/s1
InChIKeyMUDKEJWAZUEJDM-LLVKDONJSA-N
MW343.37 g/mol
LogP2.42
Rot. Bonds8

About 2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide

2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide (PubChem CID 95054929) has the molecular formula C16H23F2N3O3 and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide
PubChem CID95054929
Molecular FormulaC16H23F2N3O3
Molecular Weight343.37 g/mol
Exact Mass343.17
IUPAC Name2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=O)N[C@H](C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H23F2N3O3/c1-10(2)8-19-14(22)9-20-16(23)21-11(3)12-4-6-13(7-5-12)24-15(17)18/h4-7,10-11,15H,8-9H2,1-3H3,(H,19,22)(H2,20,21,23)/t11-/m1/s1
InChIKeyMUDKEJWAZUEJDM-LLVKDONJSA-N
XLogP2.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110910143
2-(cyclopropylmethylamino)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119720123
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-(2-methylpropyl)acetamide
CID 115900197
2-cyclopentyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 134002861
N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide
CID 52509877
N-(2-amino-2-oxoethyl)-4-[[1-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]methyl]benzamide
CID 47066698
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 51291188
1-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 94651103
2-amino-N-[2-oxo-2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]acetamide
CID 60846458
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide
CID 60504747
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide (CID 95054929) is 2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(=O)N[C@H](C)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is MUDKEJWAZUEJDM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23F2N3O3/c1-10(2)8-19-14(22)9-20-16(23)21-11(3)12-4-6-13(7-5-12)24-15(17)18/h4-7,10-11,15H,8-9H2,1-3H3,(H,19,22)(H2,20,21,23)/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 343.37 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 95054929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).