N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide

C18H24FN3O3 — CID 60587594

IUPACN-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESNC(=O)C(CNC(=O)CCCNC(=O)C1CC1)Cc1ccc(F)cc1
InChIInChI=1S/C18H24FN3O3/c19-15-7-3-12(4-8-15)10-14(17(20)24)11-22-16(23)2-1-9-21-18(25)13-5-6-13/h3-4,7-8,13-14H,1-2,5-6,9-11H2,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyOKDJOEOGDGMDGB-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.89
Rot. Bonds10

About N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 60587594) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID60587594
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC NameN-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESNC(=O)C(CNC(=O)CCCNC(=O)C1CC1)Cc1ccc(F)cc1
InChIInChI=1S/C18H24FN3O3/c19-15-7-3-12(4-8-15)10-14(17(20)24)11-22-16(23)2-1-9-21-18(25)13-5-6-13/h3-4,7-8,13-14H,1-2,5-6,9-11H2,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyOKDJOEOGDGMDGB-UHFFFAOYSA-N
XLogP0.89
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2-cyclohexyloxyacetyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95583426
(2S)-2-[[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95583323
2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide
CID 60601122
(2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide
CID 95590923
2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide
CID 56819916
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
2-[[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 111868264
trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
CID 124735793
1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
cis-(1S,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-ethoxycyclopropane-1-carboxamide
CID 98763479
trans-(1R,2R)-N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-ethoxycyclopropane-1-carboxamide
CID 95590887

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide (CID 60587594) is N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide is NC(=O)C(CNC(=O)CCCNC(=O)C1CC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is OKDJOEOGDGMDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-15-7-3-12(4-8-15)10-14(17(20)24)11-22-16(23)2-1-9-21-18(25)13-5-6-13/h3-4,7-8,13-14H,1-2,5-6,9-11H2,(H2,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 349.41 g/mol, XLogP of 0.89, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 60587594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).