(2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide

C15H21F2N3O3 — CID 95298417

IUPAC(2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide
SMILESC[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H21F2N3O3/c1-9(12(21)20-15(2,3)4)18-14(22)19-10-5-7-11(8-6-10)23-13(16)17/h5-9,13H,1-4H3,(H,20,21)(H2,18,19,22)/t9-/m0/s1
InChIKeyRLMYGNVOTTXQGP-VIFPVBQESA-N
MW329.35 g/mol
LogP2.71
Rot. Bonds5

About (2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide

(2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide (PubChem CID 95298417) has the molecular formula C15H21F2N3O3 and a molecular weight of 329.35 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide
PubChem CID95298417
Molecular FormulaC15H21F2N3O3
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name(2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide
SMILESC[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H21F2N3O3/c1-9(12(21)20-15(2,3)4)18-14(22)19-10-5-7-11(8-6-10)23-13(16)17/h5-9,13H,1-4H3,(H,20,21)(H2,18,19,22)/t9-/m0/s1
InChIKeyRLMYGNVOTTXQGP-VIFPVBQESA-N
XLogP2.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328949
1-[4-(difluoromethoxy)phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452793
1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388786
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid
CID 61194078
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 51428415
1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919120
2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
CID 107471121
N-tert-butyl-2-[(3-cyanophenyl)carbamoylamino]propanamide
CID 47075829
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide (CID 95298417) is (2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide is C[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide?
The InChIKey is RLMYGNVOTTXQGP-VIFPVBQESA-N. The full InChI is InChI=1S/C15H21F2N3O3/c1-9(12(21)20-15(2,3)4)18-14(22)19-10-5-7-11(8-6-10)23-13(16)17/h5-9,13H,1-4H3,(H,20,21)(H2,18,19,22)/t9-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide?
(2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide has a molecular weight of 329.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide is sourced from PubChem (CID 95298417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).