N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide

C26H44N2O7 — CID 171843476

IUPACN-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide
SMILESCCC(C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCc1ccc(OC)cc1
InChIInChI=1S/C26H44N2O7/c1-4-22(2)28-26(30)12-14-32-16-18-34-20-21-35-19-17-33-15-13-27-25(29)7-5-6-23-8-10-24(31-3)11-9-23/h8-11,22H,4-7,12-21H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyMSROUOSSJGQFFY-UHFFFAOYSA-N
MW496.65 g/mol
LogP2.51
Rot. Bonds22

About N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide

N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide (PubChem CID 171843476) has the molecular formula C26H44N2O7 and a molecular weight of 496.65 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide
PubChem CID171843476
Molecular FormulaC26H44N2O7
Molecular Weight496.65 g/mol
Exact Mass496.31
IUPAC NameN-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide
SMILESCCC(C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCc1ccc(OC)cc1
InChIInChI=1S/C26H44N2O7/c1-4-22(2)28-26(30)12-14-32-16-18-34-20-21-35-19-17-33-15-13-27-25(29)7-5-6-23-8-10-24(31-3)11-9-23/h8-11,22H,4-7,12-21H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyMSROUOSSJGQFFY-UHFFFAOYSA-N
XLogP2.51
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide
CID 171843475
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
N-[(2R)-2-(ethylamino)propyl]-4-(4-methoxyphenyl)butanamide
CID 120652211
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide
CID 134270850
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid
CID 79457335
(2S)-2-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoic acid
CID 94966651

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide (CID 171843476) is N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide is CCC(C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCc1ccc(OC)cc1.
What is the InChIKey of N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide?
The InChIKey is MSROUOSSJGQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O7/c1-4-22(2)28-26(30)12-14-32-16-18-34-20-21-35-19-17-33-15-13-27-25(29)7-5-6-23-8-10-24(31-3)11-9-23/h8-11,22H,4-7,12-21H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide?
N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide has a molecular weight of 496.65 g/mol, XLogP of 2.51, 22 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 171843476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).