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

C12H24N2O3 — CID 65109266

IUPAC2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCC1(O)CCCC1
InChIInChI=1S/C12H24N2O3/c1-10(11(15)13-7-8-17-2)14-9-12(16)5-3-4-6-12/h10,14,16H,3-9H2,1-2H3,(H,13,15)
InChIKeyNJYCTIXBLATFLA-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.03
Rot. Bonds7

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

2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 65109266) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID65109266
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCC1(O)CCCC1
InChIInChI=1S/C12H24N2O3/c1-10(11(15)13-7-8-17-2)14-9-12(16)5-3-4-6-12/h10,14,16H,3-9H2,1-2H3,(H,13,15)
InChIKeyNJYCTIXBLATFLA-UHFFFAOYSA-N
XLogP0.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
2-[(1-hydroxycyclopentyl)methylamino]-N-pentylpropanamide
CID 65109318
2-[(1-cyclopropylcyclopropyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 114095883
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
CID 103966438
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886
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-(propan-2-ylamino)propanamide
CID 43086718
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide (CID 65109266) is 2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NCC1(O)CCCC1.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is NJYCTIXBLATFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(11(15)13-7-8-17-2)14-9-12(16)5-3-4-6-12/h10,14,16H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide?
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 244.33 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 65109266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).