(2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide

C18H26FN3O4 — CID 7958838

IUPAC(2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide
SMILESCC(C)OCCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O4/c1-12(2)26-11-3-10-21-18(25)15(8-9-16(20)23)22-17(24)13-4-6-14(19)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H2,20,23)(H,21,25)(H,22,24)/t15-/m0/s1
InChIKeyTVNHSJZRZXHFOH-HNNXBMFYSA-N
MW367.42 g/mol
LogP1.12
Rot. Bonds11

About (2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide

(2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide (PubChem CID 7958838) has the molecular formula C18H26FN3O4 and a molecular weight of 367.42 g/mol. Its IUPAC name is (2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide
PubChem CID7958838
Molecular FormulaC18H26FN3O4
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name(2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide
SMILESCC(C)OCCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O4/c1-12(2)26-11-3-10-21-18(25)15(8-9-16(20)23)22-17(24)13-4-6-14(19)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H2,20,23)(H,21,25)(H,22,24)/t15-/m0/s1
InChIKeyTVNHSJZRZXHFOH-HNNXBMFYSA-N
XLogP1.12
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
CID 2369526
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
4-chloro-N-[(2R)-3-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)butan-2-yl]benzamide
CID 2510831
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991472
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 7376221
2-[(4-fluorobenzoyl)amino]-5-[2-[hydroxy(methylamino)phosphanyl]oxyethylamino]-5-oxopentanoic acid
CID 144706987
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 46457511
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 35513680
2-[[5-carboxy-5-[(4-fluorobenzoyl)amino]pentyl]carbamoylamino]pentanedioic acid
CID 67178458
3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 17192279

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide?
The IUPAC name of (2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide (CID 7958838) is (2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide.
What is the SMILES notation for (2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide?
The canonical SMILES for (2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide is CC(C)OCCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide?
The InChIKey is TVNHSJZRZXHFOH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26FN3O4/c1-12(2)26-11-3-10-21-18(25)15(8-9-16(20)23)22-17(24)13-4-6-14(19)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H2,20,23)(H,21,25)(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide?
(2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide has a molecular weight of 367.42 g/mol, XLogP of 1.12, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide is sourced from PubChem (CID 7958838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).