N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide

C15H28N2O4 — CID 7303816

IUPACN'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide
SMILESCC(C)OCCCNC(=O)CCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H28N2O4/c1-12(2)20-10-4-8-16-14(18)6-7-15(19)17-11-13-5-3-9-21-13/h12-13H,3-11H2,1-2H3,(H,16,18)(H,17,19)/t13-/m1/s1
InChIKeyVXOJGFPNBSMLAZ-CYBMUJFWSA-N
MW300.40 g/mol
LogP0.99
Rot. Bonds10

About N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide

N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide (PubChem CID 7303816) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide.

Molecular Properties

Compound NameN'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide
PubChem CID7303816
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC NameN'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide
SMILESCC(C)OCCCNC(=O)CCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H28N2O4/c1-12(2)20-10-4-8-16-14(18)6-7-15(19)17-11-13-5-3-9-21-13/h12-13H,3-11H2,1-2H3,(H,16,18)(H,17,19)/t13-/m1/s1
InChIKeyVXOJGFPNBSMLAZ-CYBMUJFWSA-N
XLogP0.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 86930166
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124625820
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
CID 86978113
N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943055
N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide
CID 51362759
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7013044
N-(3-methoxypropyl)-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7013045
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693

Frequently Asked Questions

What is the IUPAC name of N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide?
The IUPAC name of N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide (CID 7303816) is N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide.
What is the SMILES notation for N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide?
The canonical SMILES for N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide is CC(C)OCCCNC(=O)CCC(=O)NC[C@H]1CCCO1.
What is the InChIKey of N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide?
The InChIKey is VXOJGFPNBSMLAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-12(2)20-10-4-8-16-14(18)6-7-15(19)17-11-13-5-3-9-21-13/h12-13H,3-11H2,1-2H3,(H,16,18)(H,17,19)/t13-/m1/s1.
What are the key properties of N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide?
N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide has a molecular weight of 300.40 g/mol, XLogP of 0.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide is sourced from PubChem (CID 7303816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).