N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide

C16H32N2O2 — CID 114338889

IUPACN-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide
SMILESCC(O)CC1CCCCCN1C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(19)11-14-9-7-6-8-10-18(14)13(2)15(20)17-16(3,4)5/h12-14,19H,6-11H2,1-5H3,(H,17,20)
InChIKeyDUIDZKDEUPOHGT-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.31
Rot. Bonds4

About N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide

N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide (PubChem CID 114338889) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide
PubChem CID114338889
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide
SMILESCC(O)CC1CCCCCN1C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(19)11-14-9-7-6-8-10-18(14)13(2)15(20)17-16(3,4)5/h12-14,19H,6-11H2,1-5H3,(H,17,20)
InChIKeyDUIDZKDEUPOHGT-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 113321919
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541
methyl (2S)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 129133775
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 66261743
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249992
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-methylpropan-2-ol
CID 114338998
1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide
CID 114809952
N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79535858

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide (CID 114338889) is N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide is CC(O)CC1CCCCCN1C(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide?
The InChIKey is DUIDZKDEUPOHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(19)11-14-9-7-6-8-10-18(14)13(2)15(20)17-16(3,4)5/h12-14,19H,6-11H2,1-5H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide?
N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide has a molecular weight of 284.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide is sourced from PubChem (CID 114338889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).