N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide

C9H18N2O — CID 90251686

IUPACN-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1CN(C(C)C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)11-5-9(6-11)4-10-8(3)12/h7,9H,4-6H2,1-3H3,(H,10,12)
InChIKeyIKYHAWCJTVMOKU-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds3

About N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide

N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide (PubChem CID 90251686) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide
PubChem CID90251686
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1CN(C(C)C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)11-5-9(6-11)4-10-8(3)12/h7,9H,4-6H2,1-3H3,(H,10,12)
InChIKeyIKYHAWCJTVMOKU-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide
CID 178151169
3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
CID 147367258
N-[[3-(propan-2-ylamino)cyclobutyl]methyl]acetamide
CID 121357646
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
N-[[(3S)-1-[(1S)-1-(4-bromophenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 100848930
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate
CID 174642719
N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide
CID 112541751

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide?
The IUPAC name of N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide (CID 90251686) is N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide is CC(=O)NCC1CN(C(C)C)C1.
What is the InChIKey of N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide?
The InChIKey is IKYHAWCJTVMOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-5-9(6-11)4-10-8(3)12/h7,9H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide?
N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide has a molecular weight of 170.26 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide is sourced from PubChem (CID 90251686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).