3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide

C17H25FN2O — CID 60936843

IUPAC3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(C)(C)NCCC(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)19-11-10-16(21)20(15-8-9-15)12-13-4-6-14(18)7-5-13/h4-7,15,19H,8-12H2,1-3H3
InChIKeyVYMLSNNPDDQVGT-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.09
Rot. Bonds6

About 3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide

3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 60936843) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID60936843
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(C)(C)NCCC(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)19-11-10-16(21)20(15-8-9-15)12-13-4-6-14(18)7-5-13/h4-7,15,19H,8-12H2,1-3H3
InChIKeyVYMLSNNPDDQVGT-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 60938458
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 62836250
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246
5-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 54874686
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 29304699
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide
CID 56538526
3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26426569
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79282506
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide (CID 60936843) is 3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide is CC(C)(C)NCCC(=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is VYMLSNNPDDQVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-17(2,3)19-11-10-16(21)20(15-8-9-15)12-13-4-6-14(18)7-5-13/h4-7,15,19H,8-12H2,1-3H3.
What are the key properties of 3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 292.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 60936843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).