2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide

C14H28N2O3 — CID 65123309

IUPAC2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCC1(O)CCCCCC1
InChIInChI=1S/C14H28N2O3/c1-12(13(17)15-9-10-19-2)16-11-14(18)7-5-3-4-6-8-14/h12,16,18H,3-11H2,1-2H3,(H,15,17)
InChIKeySYAFVESKQYIDMU-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.81
Rot. Bonds7

About 2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide

2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 65123309) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID65123309
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCC1(O)CCCCCC1
InChIInChI=1S/C14H28N2O3/c1-12(13(17)15-9-10-19-2)16-11-14(18)7-5-3-4-6-8-14/h12,16,18H,3-11H2,1-2H3,(H,15,17)
InChIKeySYAFVESKQYIDMU-UHFFFAOYSA-N
XLogP0.81
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide 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-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65109266
2-[(1-hydroxycyclopentyl)methylamino]-N-pentylpropanamide
CID 65109318
2-[(1-cyclopropylcyclopropyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 114095883
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
CID 103966438
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658
N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724771
2-[(1-hydroxycyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 65111296
1-[(1-methoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 65107675
N-(2-methoxyethyl)-2-(spiro[3.5]nonan-3-ylamino)propanamide
CID 102952314
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide (CID 65123309) is 2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NCC1(O)CCCCCC1.
What is the InChIKey of 2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is SYAFVESKQYIDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-12(13(17)15-9-10-19-2)16-11-14(18)7-5-3-4-6-8-14/h12,16,18H,3-11H2,1-2H3,(H,15,17).
What are the key properties of 2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide?
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 65123309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).