N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide

C12H24N2O2 — CID 107408256

IUPACN-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide
SMILESCCNC(=O)CCN1CCCC(C)(O)CC1
InChIInChI=1S/C12H24N2O2/c1-3-13-11(15)5-9-14-8-4-6-12(2,16)7-10-14/h16H,3-10H2,1-2H3,(H,13,15)
InChIKeyKMKLNSVMMADTKJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds4

About N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide

N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide (PubChem CID 107408256) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide
PubChem CID107408256
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide
SMILESCCNC(=O)CCN1CCCC(C)(O)CC1
InChIInChI=1S/C12H24N2O2/c1-3-13-11(15)5-9-14-8-4-6-12(2,16)7-10-14/h16H,3-10H2,1-2H3,(H,13,15)
InChIKeyKMKLNSVMMADTKJ-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115874028
4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one
CID 107405316
N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid
CID 122170238
N-[2-(4-hydroxy-4-methylazepan-1-yl)ethyl]acetamide
CID 107408085
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide
CID 112726882
5-(4-hydroxy-4-methylazepan-1-yl)pentanoic acid
CID 107405145
2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide
CID 107408408
3-(1,4-diazepan-1-yl)-N-ethylpropanamide
CID 62324150
3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
CID 62325479
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-propan-2-ylpropanamide
CID 103728301
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
1-(3-chloropropyl)-4-methylazepan-4-ol
CID 107407609

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide?
The IUPAC name of N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide (CID 107408256) is N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide?
The canonical SMILES for N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide is CCNC(=O)CCN1CCCC(C)(O)CC1.
What is the InChIKey of N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide?
The InChIKey is KMKLNSVMMADTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-13-11(15)5-9-14-8-4-6-12(2,16)7-10-14/h16H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide?
N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide is sourced from PubChem (CID 107408256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).