N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide

C17H24FN3O3 — CID 120785624

IUPACN-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)C(N)C2CCOCC2)cc1F
InChIInChI=1S/C17H24FN3O3/c1-11-2-3-13(10-14(11)18)16(22)20-6-7-21-17(23)15(19)12-4-8-24-9-5-12/h2-3,10,12,15H,4-9,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyBRDFWTFODVWUMQ-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.73
Rot. Bonds6

About N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide

N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide (PubChem CID 120785624) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
PubChem CID120785624
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC NameN-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)C(N)C2CCOCC2)cc1F
InChIInChI=1S/C17H24FN3O3/c1-11-2-3-13(10-14(11)18)16(22)20-6-7-21-17(23)15(19)12-4-8-24-9-5-12/h2-3,10,12,15H,4-9,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyBRDFWTFODVWUMQ-UHFFFAOYSA-N
XLogP0.73
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.73
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

N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
CID 120785571
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-bromobenzamide
CID 120791326
2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787345
4-(aminomethyl)-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]oxane-4-carboxamide;hydrochloride
CID 120921353
2-amino-N-[2-(2,3-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120793248
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 120786526
N-[2-(cyclopropylcarbamoylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 36508254
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 120786959
2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787041
methyl 3-[[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]benzoyl]amino]propanoate
CID 120785396

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide (CID 120785624) is N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)C(N)C2CCOCC2)cc1F.
What is the InChIKey of N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide?
The InChIKey is BRDFWTFODVWUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-11-2-3-13(10-14(11)18)16(22)20-6-7-21-17(23)15(19)12-4-8-24-9-5-12/h2-3,10,12,15H,4-9,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide?
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide has a molecular weight of 337.40 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 120785624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).