N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide

C21H24FNO2 — CID 55595511

IUPACN-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C21H24FNO2/c1-16(18-7-8-18)23(15-17-5-3-2-4-6-17)21(24)13-14-25-20-11-9-19(22)10-12-20/h2-6,9-12,16,18H,7-8,13-15H2,1H3
InChIKeySGGKSEXXPXNBCN-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.42
Rot. Bonds8

About N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide

N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide (PubChem CID 55595511) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide
PubChem CID55595511
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C21H24FNO2/c1-16(18-7-8-18)23(15-17-5-3-2-4-6-17)21(24)13-14-25-20-11-9-19(22)10-12-20/h2-6,9-12,16,18H,7-8,13-15H2,1H3
InChIKeySGGKSEXXPXNBCN-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-(1-cyclopropylethyl)acetamide
CID 43061209
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide
CID 78913957
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 55550866
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119679054
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide (CID 55595511) is N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CCOc1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide?
The InChIKey is SGGKSEXXPXNBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-16(18-7-8-18)23(15-17-5-3-2-4-6-17)21(24)13-14-25-20-11-9-19(22)10-12-20/h2-6,9-12,16,18H,7-8,13-15H2,1H3.
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide?
N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide has a molecular weight of 341.43 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 55595511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).