N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide

C9H17NO3 — CID 103881092

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-2-5-13-6-8(12)10-9(7-11)3-4-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyKCULOSKOPKBPBH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide

N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide (PubChem CID 103881092) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide
PubChem CID103881092
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-2-5-13-6-8(12)10-9(7-11)3-4-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyKCULOSKOPKBPBH-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
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

2-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519579
N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide
CID 106301018
3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764765
1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 103627584
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide
CID 107941605
N-[1-(hydroxymethyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968618
N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide
CID 115877554
N-[1-(hydroxymethyl)cyclopropyl]pentanamide
CID 115764875
2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 107937794
N-(1-carbamothioylcyclohexyl)-2-propoxyacetamide
CID 107938915
N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide
CID 115772394
2-[1-[[2-(2-methoxyethoxy)acetyl]amino]cyclopentyl]acetic acid
CID 64673171

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide (CID 103881092) is N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide is CCCOCC(=O)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide?
The InChIKey is KCULOSKOPKBPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-5-13-6-8(12)10-9(7-11)3-4-9/h11H,2-7H2,1H3,(H,10,12).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide?
N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide has a molecular weight of 187.24 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide is sourced from PubChem (CID 103881092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).