2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide

C14H21N3O3 — CID 47202622

IUPAC2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
SMILESCCCCNC(=O)Nc1cccc(OCC(=O)NC)c1
InChIInChI=1S/C14H21N3O3/c1-3-4-8-16-14(19)17-11-6-5-7-12(9-11)20-10-13(18)15-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyIHKLXHNKFKGRCV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds7

About 2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide

2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide (PubChem CID 47202622) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
PubChem CID47202622
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
SMILESCCCCNC(=O)Nc1cccc(OCC(=O)NC)c1
InChIInChI=1S/C14H21N3O3/c1-3-4-8-16-14(19)17-11-6-5-7-12(9-11)20-10-13(18)15-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyIHKLXHNKFKGRCV-UHFFFAOYSA-N
XLogP1.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
CID 61199513
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
2-bromo-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]butanamide
CID 62855576
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 46440401
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide (CID 47202622) is 2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide is CCCCNC(=O)Nc1cccc(OCC(=O)NC)c1.
What is the InChIKey of 2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide?
The InChIKey is IHKLXHNKFKGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-8-16-14(19)17-11-6-5-7-12(9-11)20-10-13(18)15-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18)(H2,16,17,19).
What are the key properties of 2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide?
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide has a molecular weight of 279.34 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide is sourced from PubChem (CID 47202622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).