N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide

C14H22N2O2 — CID 62378949

IUPACN-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCCCOc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(2)16-11-14(17)15-9-6-10-18-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3,(H,15,17)
InChIKeyRNOOSDXTJFMOPR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.57
Rot. Bonds8

About N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide

N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide (PubChem CID 62378949) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
PubChem CID62378949
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCCCOc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(2)16-11-14(17)15-9-6-10-18-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3,(H,15,17)
InChIKeyRNOOSDXTJFMOPR-UHFFFAOYSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817766
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide
CID 92844284
N-pentyl-2-(2-phenoxyethylamino)propanamide
CID 60720089
N-ethyl-2-(2-phenoxyethylamino)acetamide
CID 60674230
1,1-bis(2-methylpropyl)-3-(3-phenoxypropyl)urea
CID 108883218
2-(3-phenoxypropylamino)-N-propylpropanamide
CID 60695598

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide (CID 62378949) is N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NCCCOc1ccccc1.
What is the InChIKey of N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is RNOOSDXTJFMOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(2)16-11-14(17)15-9-6-10-18-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3,(H,15,17).
What are the key properties of N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide?
N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 62378949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).