2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide

C14H23N3O3 — CID 103388398

IUPAC2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
SMILESCOCC(CCCN)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H23N3O3/c1-19-9-12(3-2-8-15)17-11-4-6-13(7-5-11)20-10-14(16)18/h4-7,12,17H,2-3,8-10,15H2,1H3,(H2,16,18)
InChIKeySROMSINWBOXNOI-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.72
Rot. Bonds10

About 2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide

2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide (PubChem CID 103388398) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
PubChem CID103388398
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
SMILESCOCC(CCCN)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H23N3O3/c1-19-9-12(3-2-8-15)17-11-4-6-13(7-5-11)20-10-14(16)18/h4-7,12,17H,2-3,8-10,15H2,1H3,(H2,16,18)
InChIKeySROMSINWBOXNOI-UHFFFAOYSA-N
XLogP0.72
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
CID 103389195
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414
ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
CID 103387754
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide
CID 62475184
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine
CID 103388717
4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
CID 103390438
2-(4-butoxyphenoxy)acetamide
CID 22974475

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide (CID 103388398) is 2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide is COCC(CCCN)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide?
The InChIKey is SROMSINWBOXNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-19-9-12(3-2-8-15)17-11-4-6-13(7-5-11)20-10-14(16)18/h4-7,12,17H,2-3,8-10,15H2,1H3,(H2,16,18).
What are the key properties of 2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide?
2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.72, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide is sourced from PubChem (CID 103388398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).