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

C17H25FN2O — CID 60938458

IUPAC3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
SMILESCC(C)(C)NCCC(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)19-10-9-16(21)20(15-7-8-15)12-13-5-4-6-14(18)11-13/h4-6,11,15,19H,7-10,12H2,1-3H3
InChIKeyLRPACQJRUFSUOO-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.09
Rot. Bonds6

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

3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide (PubChem CID 60938458) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
PubChem CID60938458
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
SMILESCC(C)(C)NCCC(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)19-10-9-16(21)20(15-7-8-15)12-13-5-4-6-14(18)11-13/h4-6,11,15,19H,7-10,12H2,1-3H3
InChIKeyLRPACQJRUFSUOO-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-[(4-fluorophenyl)methyl]propanamide
CID 60936843
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
CID 62838324
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
2-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115580461
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536551
2-(4-aminophenyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119715337
N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide (CID 60938458) is 3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide is CC(C)(C)NCCC(=O)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of 3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide?
The InChIKey is LRPACQJRUFSUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-17(2,3)19-10-9-16(21)20(15-7-8-15)12-13-5-4-6-14(18)11-13/h4-6,11,15,19H,7-10,12H2,1-3H3.
What are the key properties of 3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide?
3-(tert-butylamino)-N-cyclopropyl-N-[(3-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-[(3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 60938458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).