N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide

C19H38N2O2 — CID 58848463

IUPACN-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide
SMILESCCCCN(CCCCCN1CCOCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-5-6-11-21(18(22)17-19(2,3)4)12-9-7-8-10-20-13-15-23-16-14-20/h5-17H2,1-4H3
InChIKeySHWGZCVRSKRTNL-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.55
Rot. Bonds10

About N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide

N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide (PubChem CID 58848463) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide
PubChem CID58848463
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC NameN-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide
SMILESCCCCN(CCCCCN1CCOCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-5-6-11-21(18(22)17-19(2,3)4)12-9-7-8-10-20-13-15-23-16-14-20/h5-17H2,1-4H3
InChIKeySHWGZCVRSKRTNL-UHFFFAOYSA-N
XLogP3.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.55
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-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide
CID 58848104
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
CID 58848482
4-hexylmorpholine
CID 3614751
N-butyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 142122170
N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide
CID 58848837
N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995
18-morpholin-4-yloctadecan-7-ol
CID 154324774
N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 47798791
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
4-butylmorpholine;N,N-dimethylformamide
CID 178173228
butane;4-butylmorpholine
CID 177152600

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide?
The IUPAC name of N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide (CID 58848463) is N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide is CCCCN(CCCCCN1CCOCC1)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide?
The InChIKey is SHWGZCVRSKRTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-5-6-11-21(18(22)17-19(2,3)4)12-9-7-8-10-20-13-15-23-16-14-20/h5-17H2,1-4H3.
What are the key properties of N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide?
N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide has a molecular weight of 326.53 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide is sourced from PubChem (CID 58848463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).