N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

C16H25N3O3 — CID 8754959

IUPACN-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCCCCNC(=O)NC(=O)CN(C)CCOc1ccccc1
InChIInChI=1S/C16H25N3O3/c1-3-4-10-17-16(21)18-15(20)13-19(2)11-12-22-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,17,18,20,21)
InChIKeyPKZYHDLFPFVCDK-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.62
Rot. Bonds9

About N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (PubChem CID 8754959) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
PubChem CID8754959
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCCCCNC(=O)NC(=O)CN(C)CCOc1ccccc1
InChIInChI=1S/C16H25N3O3/c1-3-4-10-17-16(21)18-15(20)13-19(2)11-12-22-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,17,18,20,21)
InChIKeyPKZYHDLFPFVCDK-UHFFFAOYSA-N
XLogP1.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429400
N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 87013061
2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8594560
2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
CID 61450185
1-butyl-3-(phenoxymethyl)urea
CID 108888779
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
2-[5-hydroxypentyl(methyl)amino]-N-(2-phenoxyethyl)acetamide
CID 107204277
N-(butylcarbamoyl)-2-(4-ethoxyphenoxy)acetamide
CID 9353681
4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid
CID 43214758
acetic acid;butoxybenzene
CID 162338086
2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060237
2-[3-phenoxypropylcarbamoyl(propan-2-yl)amino]acetic acid
CID 62380426

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (CID 8754959) is N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is CCCCNC(=O)NC(=O)CN(C)CCOc1ccccc1.
What is the InChIKey of N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The InChIKey is PKZYHDLFPFVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-4-10-17-16(21)18-15(20)13-19(2)11-12-22-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,17,18,20,21).
What are the key properties of N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is sourced from PubChem (CID 8754959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).