N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide

C16H32N2O4 — CID 157121719

IUPACN-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide
SMILESCCCCOCCOCCNC(=O)CCN[C@H](C=O)C(C)C
InChIInChI=1S/C16H32N2O4/c1-4-5-9-21-11-12-22-10-8-18-16(20)6-7-17-15(13-19)14(2)3/h13-15,17H,4-12H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKeyYXQWAQOFOGRMIY-OAHLLOKOSA-N
MW316.44 g/mol
LogP1.14
Rot. Bonds15

About N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide

N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide (PubChem CID 157121719) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide
PubChem CID157121719
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC NameN-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide
SMILESCCCCOCCOCCNC(=O)CCN[C@H](C=O)C(C)C
InChIInChI=1S/C16H32N2O4/c1-4-5-9-21-11-12-22-10-8-18-16(20)6-7-17-15(13-19)14(2)3/h13-15,17H,4-12H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKeyYXQWAQOFOGRMIY-OAHLLOKOSA-N
XLogP1.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
5-bromo-N-(2-butoxyethyl)pentanamide
CID 10016485
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-methylpropylamino)acetamide
CID 156547181
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide?
The IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide (CID 157121719) is N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide.
What is the SMILES notation for N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide?
The canonical SMILES for N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide is CCCCOCCOCCNC(=O)CCN[C@H](C=O)C(C)C.
What is the InChIKey of N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide?
The InChIKey is YXQWAQOFOGRMIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-4-5-9-21-11-12-22-10-8-18-16(20)6-7-17-15(13-19)14(2)3/h13-15,17H,4-12H2,1-3H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide?
N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide has a molecular weight of 316.44 g/mol, XLogP of 1.14, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide is sourced from PubChem (CID 157121719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).