N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane

C22H47N3O2 — CID 168958672

IUPACN-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane
SMILESCCC.CCNCCCNC(=O)CCCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C19H39N3O2.C3H8/c1-4-20-13-11-15-21-18(23)12-9-7-5-6-8-10-14-22-19(24)16-17(2)3;1-3-2/h17,20H,4-16H2,1-3H3,(H,21,23)(H,22,24);3H2,1-2H3
InChIKeyWCFBCPFSWRFDOA-UHFFFAOYSA-N
MW385.64 g/mol
LogP4.41
Rot. Bonds16

About N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane

N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane (PubChem CID 168958672) has the molecular formula C22H47N3O2 and a molecular weight of 385.64 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane
PubChem CID168958672
Molecular FormulaC22H47N3O2
Molecular Weight385.64 g/mol
Exact Mass385.37
IUPAC NameN-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane
SMILESCCC.CCNCCCNC(=O)CCCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C19H39N3O2.C3H8/c1-4-20-13-11-15-21-18(23)12-9-7-5-6-8-10-14-22-19(24)16-17(2)3;1-3-2/h17,20H,4-16H2,1-3H3,(H,21,23)(H,22,24);3H2,1-2H3
InChIKeyWCFBCPFSWRFDOA-UHFFFAOYSA-N
XLogP4.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.64
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
N-[3-(ethylamino)propyl]pentanamide;molecular hydrogen
CID 171627803
N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide
CID 134441338
N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
CID 63834541
ethane;3-methyl-N-nonylbutanamide;prop-1-ene
CID 170638874
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
CID 24992297
N-[5-[2-(ethylamino)ethylamino]pentyl]butanamide;molecular hydrogen
CID 156795142
N-hexyl-6-methylheptanamide
CID 141197249

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane?
The IUPAC name of N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane (CID 168958672) is N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane.
What is the SMILES notation for N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane?
The canonical SMILES for N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane is CCC.CCNCCCNC(=O)CCCCCCCCNC(=O)CC(C)C.
What is the InChIKey of N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane?
The InChIKey is WCFBCPFSWRFDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O2.C3H8/c1-4-20-13-11-15-21-18(23)12-9-7-5-6-8-10-14-22-19(24)16-17(2)3;1-3-2/h17,20H,4-16H2,1-3H3,(H,21,23)(H,22,24);3H2,1-2H3.
What are the key properties of N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane?
N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane has a molecular weight of 385.64 g/mol, XLogP of 4.41, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane is sourced from PubChem (CID 168958672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).