N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide

C14H21N3O3 — CID 119497991

IUPACN-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCC(N)CCNC(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C14H21N3O3/c1-11(15)7-8-16-13(18)9-17-14(19)10-20-12-5-3-2-4-6-12/h2-6,11H,7-10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyROUYNEIIBCFDID-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.04
Rot. Bonds8

About N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide

N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 119497991) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID119497991
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCC(N)CCNC(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C14H21N3O3/c1-11(15)7-8-16-13(18)9-17-14(19)10-20-12-5-3-2-4-6-12/h2-6,11H,7-10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyROUYNEIIBCFDID-UHFFFAOYSA-N
XLogP0.04
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 119496606
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
2-[[2-(4-phenylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163146
N-[(2S)-1,1-diphenylpropan-2-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38595856
N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propan-2-ylacetamide
CID 112995071
N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
N-methyl-N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47163246

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide (CID 119497991) is N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide is CC(N)CCNC(=O)CNC(=O)COc1ccccc1.
What is the InChIKey of N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is ROUYNEIIBCFDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11(15)7-8-16-13(18)9-17-14(19)10-20-12-5-3-2-4-6-12/h2-6,11H,7-10,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide?
N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 119497991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).