2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate

C16H31NO4 — CID 160618307

IUPAC2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate
SMILESCCC(O)COC(=O)NC(CC(=O)CC(C)C)CC(C)C
InChIInChI=1S/C16H31NO4/c1-6-14(18)10-21-16(20)17-13(7-11(2)3)9-15(19)8-12(4)5/h11-14,18H,6-10H2,1-5H3,(H,17,20)
InChIKeyHSPGKQXYKGVCGL-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.90
Rot. Bonds10

About 2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate

2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate (PubChem CID 160618307) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate.

Molecular Properties

Compound Name2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate
PubChem CID160618307
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate
SMILESCCC(O)COC(=O)NC(CC(=O)CC(C)C)CC(C)C
InChIInChI=1S/C16H31NO4/c1-6-14(18)10-21-16(20)17-13(7-11(2)3)9-15(19)8-12(4)5/h11-14,18H,6-10H2,1-5H3,(H,17,20)
InChIKeyHSPGKQXYKGVCGL-UHFFFAOYSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxybutyl 3-methylbutanoate
CID 23057192
2-hydroxybutyl N-[(2-hydroxybutoxycarbonylamino)methyl]carbamate
CID 59791185
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate
CID 3115351
bis(2-hydroxybutyl) propanedioate
CID 90337144
(3S)-5-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 11265942
ethyl N-[1-(diaminomethylideneamino)-4-methylpentan-2-yl]carbamate
CID 110927322
[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
CID 88940708
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
5-methyl-3-(propan-2-ylcarbamoyloxymethyl)hexanoic acid
CID 140532992
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate?
The IUPAC name of 2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate (CID 160618307) is 2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate.
What is the SMILES notation for 2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate?
The canonical SMILES for 2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate is CCC(O)COC(=O)NC(CC(=O)CC(C)C)CC(C)C.
What is the InChIKey of 2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate?
The InChIKey is HSPGKQXYKGVCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-6-14(18)10-21-16(20)17-13(7-11(2)3)9-15(19)8-12(4)5/h11-14,18H,6-10H2,1-5H3,(H,17,20).
What are the key properties of 2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate?
2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate has a molecular weight of 301.43 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutyl N-(2,8-dimethyl-6-oxononan-4-yl)carbamate is sourced from PubChem (CID 160618307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).