N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide

C16H32N2O3 — CID 177260511

IUPACN-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
SMILESCC(C)CCCNC(=O)CCOCCC(=O)NCC(C)C
InChIInChI=1S/C16H32N2O3/c1-13(2)6-5-9-17-15(19)7-10-21-11-8-16(20)18-12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyXXGKDSWPIYRZCF-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.11
Rot. Bonds12

About N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide

N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide (PubChem CID 177260511) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
PubChem CID177260511
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC NameN-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
SMILESCC(C)CCCNC(=O)CCOCCC(=O)NCC(C)C
InChIInChI=1S/C16H32N2O3/c1-13(2)6-5-9-17-15(19)7-10-21-11-8-16(20)18-12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyXXGKDSWPIYRZCF-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
CID 112739075
3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 168959082
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969
dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium
CID 170612923
3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 112739073
N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide
CID 170123968
N-(3-methylbutyl)-3-[3-[3-[2-(1-sulfanylethylamino)ethoxy]propanoylamino]propoxy]propanamide
CID 170022349

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide?
The IUPAC name of N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide (CID 177260511) is N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide.
What is the SMILES notation for N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide?
The canonical SMILES for N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide is CC(C)CCCNC(=O)CCOCCC(=O)NCC(C)C.
What is the InChIKey of N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide?
The InChIKey is XXGKDSWPIYRZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-13(2)6-5-9-17-15(19)7-10-21-11-8-16(20)18-12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide?
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide has a molecular weight of 300.44 g/mol, XLogP of 2.11, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide is sourced from PubChem (CID 177260511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).