N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide

C16H25NO3 — CID 115949786

IUPACN-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
SMILESCN(CCCOc1ccccc1)C(=O)COC(C)(C)C
InChIInChI=1S/C16H25NO3/c1-16(2,3)20-13-15(18)17(4)11-8-12-19-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3
InChIKeyFAUHPFDUWCBMMU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.73
Rot. Bonds7

About N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide

N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide (PubChem CID 115949786) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
PubChem CID115949786
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
SMILESCN(CCCOc1ccccc1)C(=O)COC(C)(C)C
InChIInChI=1S/C16H25NO3/c1-16(2,3)20-13-15(18)17(4)11-8-12-19-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3
InChIKeyFAUHPFDUWCBMMU-UHFFFAOYSA-N
XLogP2.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
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-N-(3-phenoxypropyl)acetamide
CID 60757278
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984
2,2,2-trifluoroethyl N-methyl-N-(3-phenoxypropyl)carbamate
CID 65168993
3-(aminomethyl)-N-methyl-N-(3-phenoxypropyl)pentanamide
CID 81087362
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid
CID 62820736
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728
2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781233
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide?
The IUPAC name of N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide (CID 115949786) is N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide.
What is the SMILES notation for N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide?
The canonical SMILES for N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide is CN(CCCOc1ccccc1)C(=O)COC(C)(C)C.
What is the InChIKey of N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide?
The InChIKey is FAUHPFDUWCBMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2,3)20-13-15(18)17(4)11-8-12-19-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3.
What are the key properties of N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide?
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide is sourced from PubChem (CID 115949786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).