2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide

C16H27N3O3 — CID 129477993

IUPAC2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)C[C@H]1CN(C(=O)C2=CCCCCC2)CCO1
InChIInChI=1S/C16H27N3O3/c1-18(12-15(17)20)10-14-11-19(8-9-22-14)16(21)13-6-4-2-3-5-7-13/h6,14H,2-5,7-12H2,1H3,(H2,17,20)/t14-/m0/s1
InChIKeyDVPJCYYTUPCIQC-AWEZNQCLSA-N
MW309.41 g/mol
LogP0.52
Rot. Bonds5

About 2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide

2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide (PubChem CID 129477993) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
PubChem CID129477993
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)C[C@H]1CN(C(=O)C2=CCCCCC2)CCO1
InChIInChI=1S/C16H27N3O3/c1-18(12-15(17)20)10-14-11-19(8-9-22-14)16(21)13-6-4-2-3-5-7-13/h6,14H,2-5,7-12H2,1H3,(H2,17,20)/t14-/m0/s1
InChIKeyDVPJCYYTUPCIQC-AWEZNQCLSA-N
XLogP0.52
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide
CID 128966455
2-[[(2R)-4-(3-ethylpyridine-4-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
CID 129340878
2-[methyl-[[(2R)-4-(5-methylthiophene-2-carbonyl)morpholin-2-yl]methyl]amino]acetamide
CID 129478517
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 129336560
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide
CID 128968365
2-[[4-[2-(dimethylamino)butanoyl]morpholin-2-yl]methyl-methylamino]acetamide
CID 128975039
2-[(4-ethylsulfonylmorpholin-2-yl)methyl-methylamino]acetamide
CID 154739726
2-[methyl-[[(2R)-4-[(2S,5R)-5-methyloxolane-2-carbonyl]morpholin-2-yl]methyl]amino]acetamide
CID 129333738
2-[methyl-[[(2R)-4-(2-pyridin-3-yloxyacetyl)morpholin-2-yl]methyl]amino]acetamide
CID 129477899
2-[methyl-[[(2S)-4-[(2S)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340143
2-[methyl-[[(2R)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340141
2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340144

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide (CID 129477993) is 2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide is CN(CC(N)=O)C[C@H]1CN(C(=O)C2=CCCCCC2)CCO1.
What is the InChIKey of 2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide?
The InChIKey is DVPJCYYTUPCIQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-18(12-15(17)20)10-14-11-19(8-9-22-14)16(21)13-6-4-2-3-5-7-13/h6,14H,2-5,7-12H2,1H3,(H2,17,20)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide?
2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide has a molecular weight of 309.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 129477993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).