N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide

C15H29NO3 — CID 114951401

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H29NO3/c1-4-6-13(7-5-2)14(17)16(3)12-15(18)8-10-19-11-9-15/h13,18H,4-12H2,1-3H3
InChIKeyKJQQUWJLGBSVSQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.20
Rot. Bonds7

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide (PubChem CID 114951401) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide
PubChem CID114951401
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H29NO3/c1-4-6-13(7-5-2)14(17)16(3)12-15(18)8-10-19-11-9-15/h13,18H,4-12H2,1-3H3
InChIKeyKJQQUWJLGBSVSQ-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one
CID 164675708
4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 114951443
3-(Hydroxymethyl)-5-methyl-1-morpholin-4-ylhexan-1-one
CID 54145273
2-Ethyl-1-(3-hydroxypiperidin-1-yl)hexan-1-one
CID 43417115
(3-Hydroxy-3-propylazetidin-1-yl)-(oxan-4-yl)methanone
CID 65930988
3-Hydroxy-1-morpholin-4-yl-3-propylhexan-1-one
CID 71971753
N-[(4-hydroxyoxan-4-yl)methyl]heptanamide
CID 79038855
N-[(4-hydroxyoxan-4-yl)methyl]hexanamide
CID 79039195
N-[(4-hydroxyoxan-4-yl)methyl]-4-methylpentanamide
CID 79039197
2-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]hexanamide
CID 79039370
N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpentanamide
CID 79039437
N-[(4-hydroxyoxan-4-yl)methyl]-3,5,5-trimethylhexanamide
CID 79039606

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide (CID 114951401) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide is CCCC(CCC)C(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide?
The InChIKey is KJQQUWJLGBSVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-6-13(7-5-2)14(17)16(3)12-15(18)8-10-19-11-9-15/h13,18H,4-12H2,1-3H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide has a molecular weight of 271.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide is sourced from PubChem (CID 114951401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).