N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide

C15H30N2O2 — CID 154671313

IUPACN-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(CCCCCO)CC1
InChIInChI=1S/C15H30N2O2/c1-13(2)15(19)16-14-7-6-10-17(11-8-14)9-4-3-5-12-18/h13-14,18H,3-12H2,1-2H3,(H,16,19)
InChIKeyAPGMQXGWMHQTMF-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.78
Rot. Bonds7

About N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide

N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide (PubChem CID 154671313) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide
PubChem CID154671313
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(CCCCCO)CC1
InChIInChI=1S/C15H30N2O2/c1-13(2)15(19)16-14-7-6-10-17(11-8-14)9-4-3-5-12-18/h13-14,18H,3-12H2,1-2H3,(H,16,19)
InChIKeyAPGMQXGWMHQTMF-UHFFFAOYSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.78
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

1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea
CID 111496272
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
4-(4-methylazepan-1-yl)butan-1-ol
CID 63214962
(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 94827893
6-[3-[1-(methylamino)ethyl]piperidin-1-yl]hexan-1-ol
CID 107701930
N-cyclopropyl-2-[4-(5-hydroxypentyl)piperazin-1-yl]acetamide
CID 52875850
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
CID 63626471
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide (CID 154671313) is N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCCN(CCCCCO)CC1.
What is the InChIKey of N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide?
The InChIKey is APGMQXGWMHQTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(2)15(19)16-14-7-6-10-17(11-8-14)9-4-3-5-12-18/h13-14,18H,3-12H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide?
N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide is sourced from PubChem (CID 154671313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).