2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide

C14H21N3O3 — CID 60944728

IUPAC2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
SMILESCN(CCCOc1ccccc1)C(=O)CNC(=O)CN
InChIInChI=1S/C14H21N3O3/c1-17(14(19)11-16-13(18)10-15)8-5-9-20-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,15H2,1H3,(H,16,18)
InChIKeyQRWAQBWRMXMNMA-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.01
Rot. Bonds8

About 2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide

2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide (PubChem CID 60944728) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
PubChem CID60944728
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
SMILESCN(CCCOc1ccccc1)C(=O)CNC(=O)CN
InChIInChI=1S/C14H21N3O3/c1-17(14(19)11-16-13(18)10-15)8-5-9-20-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,15H2,1H3,(H,16,18)
InChIKeyQRWAQBWRMXMNMA-UHFFFAOYSA-N
XLogP-0.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.01
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

3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide
CID 38580004
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993704
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
3-(aminomethyl)-N-methyl-N-(3-phenoxypropyl)pentanamide
CID 81087362
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
2-amino-N-[2-[2-ethoxyethyl(methyl)amino]-2-oxoethyl]acetamide
CID 81058436
4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 27822358
2,2,2-trifluoroethyl N-methyl-N-(3-phenoxypropyl)carbamate
CID 65168993

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide (CID 60944728) is 2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide is CN(CCCOc1ccccc1)C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide?
The InChIKey is QRWAQBWRMXMNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(14(19)11-16-13(18)10-15)8-5-9-20-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60944728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).