N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide

C16H29NO3 — CID 78876101

IUPACN-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCC(C)CCN(C(=O)CCOCC1CCCO1)C1CC1
InChIInChI=1S/C16H29NO3/c1-13(2)7-9-17(14-5-6-14)16(18)8-11-19-12-15-4-3-10-20-15/h13-15H,3-12H2,1-2H3
InChIKeyNZIHKWFZTVPNBE-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.61
Rot. Bonds9

About N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide

N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 78876101) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID78876101
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCC(C)CCN(C(=O)CCOCC1CCCO1)C1CC1
InChIInChI=1S/C16H29NO3/c1-13(2)7-9-17(14-5-6-14)16(18)8-11-19-12-15-4-3-10-20-15/h13-15H,3-12H2,1-2H3
InChIKeyNZIHKWFZTVPNBE-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(oxolan-2-ylmethoxy)-N-piperidin-4-ylpropanamide
CID 119441358
2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119189387
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 55755448
N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide
CID 43254238
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide
CID 78875889
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 119605686
3-(oxan-2-ylmethoxy)propanamide
CID 22444989
4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride
CID 119292359
1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]ethoxy]propan-2-ol
CID 54459416

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide (CID 78876101) is N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide is CC(C)CCN(C(=O)CCOCC1CCCO1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is NZIHKWFZTVPNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-13(2)7-9-17(14-5-6-14)16(18)8-11-19-12-15-4-3-10-20-15/h13-15H,3-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide?
N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 283.41 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 78876101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).