N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide

C14H22FN3O2 — CID 103387932

IUPACN-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
SMILESCOCC(CCCN)Nc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C14H22FN3O2/c1-10(19)17-11-5-6-13(15)14(8-11)18-12(9-20-2)4-3-7-16/h5-6,8,12,18H,3-4,7,9,16H2,1-2H3,(H,17,19)
InChIKeyMMTZBYMYAWVQJQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.95
Rot. Bonds8

About N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide

N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide (PubChem CID 103387932) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
PubChem CID103387932
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC NameN-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
SMILESCOCC(CCCN)Nc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C14H22FN3O2/c1-10(19)17-11-5-6-13(15)14(8-11)18-12(9-20-2)4-3-7-16/h5-6,8,12,18H,3-4,7,9,16H2,1-2H3,(H,17,19)
InChIKeyMMTZBYMYAWVQJQ-UHFFFAOYSA-N
XLogP1.95
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide
CID 103388710
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate
CID 103388068
N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide
CID 43778939
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine
CID 103387298
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414
4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine
CID 103389190
N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide
CID 43672568
ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
CID 103387754
2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
CID 103388398

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide (CID 103387932) is N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide is COCC(CCCN)Nc1cc(NC(C)=O)ccc1F.
What is the InChIKey of N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide?
The InChIKey is MMTZBYMYAWVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-10(19)17-11-5-6-13(15)14(8-11)18-12(9-20-2)4-3-7-16/h5-6,8,12,18H,3-4,7,9,16H2,1-2H3,(H,17,19).
What are the key properties of N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide?
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide has a molecular weight of 283.35 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 103387932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).