3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium

C24H43N2O2+ — CID 7619078

IUPAC3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium
SMILESCCC[NH+](CCC)CCCNC(=O)C[C@@H](c1ccc(OC(C)C)cc1)C(C)C
InChIInChI=1S/C24H42N2O2/c1-7-15-26(16-8-2)17-9-14-25-24(27)18-23(19(3)4)21-10-12-22(13-11-21)28-20(5)6/h10-13,19-20,23H,7-9,14-18H2,1-6H3,(H,25,27)/p+1/t23-/m1/s1
InChIKeyXBIFVFLSCUABKM-HSZRJFAPSA-O
MW391.62 g/mol
LogP3.81
Rot. Bonds14

About 3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium

3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium (PubChem CID 7619078) has the molecular formula C24H43N2O2+ and a molecular weight of 391.62 g/mol. Its IUPAC name is 3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium.

Molecular Properties

Compound Name3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium
PubChem CID7619078
Molecular FormulaC24H43N2O2+
Molecular Weight391.62 g/mol
Exact Mass391.33
IUPAC Name3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium
SMILESCCC[NH+](CCC)CCCNC(=O)C[C@@H](c1ccc(OC(C)C)cc1)C(C)C
InChIInChI=1S/C24H42N2O2/c1-7-15-26(16-8-2)17-9-14-25-24(27)18-23(19(3)4)21-10-12-22(13-11-21)28-20(5)6/h10-13,19-20,23H,7-9,14-18H2,1-6H3,(H,25,27)/p+1/t23-/m1/s1
InChIKeyXBIFVFLSCUABKM-HSZRJFAPSA-O
XLogP3.81
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.62
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 40838358
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride
CID 119429836
2-[[2-(butylamino)-2-oxoethyl]-methylamino]-2-(4-propan-2-yloxyphenyl)acetic acid
CID 46993828
3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110610148
N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-4-methyl-3-(4-propan-2-yloxyphenyl)pentanamide
CID 3754974
(3S)-N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-4-methyl-3-(4-propan-2-yloxyphenyl)pentanamide
CID 163074860
N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
CID 110355408
N-ethyl-2-[1-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 43566886
N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide
CID 18839396
(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)-1-pyrrolidin-1-ylpentan-1-one
CID 906828
2-bromo-5-propan-2-yloxy-N-propylbenzamide
CID 172648130

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium?
The IUPAC name of 3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium (CID 7619078) is 3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium.
What is the SMILES notation for 3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium?
The canonical SMILES for 3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium is CCC[NH+](CCC)CCCNC(=O)C[C@@H](c1ccc(OC(C)C)cc1)C(C)C.
What is the InChIKey of 3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium?
The InChIKey is XBIFVFLSCUABKM-HSZRJFAPSA-O. The full InChI is InChI=1S/C24H42N2O2/c1-7-15-26(16-8-2)17-9-14-25-24(27)18-23(19(3)4)21-10-12-22(13-11-21)28-20(5)6/h10-13,19-20,23H,7-9,14-18H2,1-6H3,(H,25,27)/p+1/t23-/m1/s1.
What are the key properties of 3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium?
3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium has a molecular weight of 391.62 g/mol, XLogP of 3.81, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium is sourced from PubChem (CID 7619078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).