N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide

C25H32NO3+ — CID 91272762

IUPACN-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide
SMILES[CH2+]C(CC)Oc1cccc(CCNC(=O)C(C)Cc2ccc(O)c(C3CC3)c2)c1
InChIInChI=1S/C25H31NO3/c1-4-18(3)29-22-7-5-6-19(15-22)12-13-26-25(28)17(2)14-20-8-11-24(27)23(16-20)21-9-10-21/h5-8,11,15-18,21H,3-4,9-10,12-14H2,1-2H3,(H-,26,27,28)/p+1
InChIKeySGYRQNPBBDGANI-UHFFFAOYSA-O
MW394.54 g/mol
LogP4.80
Rot. Bonds10

About N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide

N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide (PubChem CID 91272762) has the molecular formula C25H32NO3+ and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide
PubChem CID91272762
Molecular FormulaC25H32NO3+
Molecular Weight394.54 g/mol
Exact Mass394.24
IUPAC NameN-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide
SMILES[CH2+]C(CC)Oc1cccc(CCNC(=O)C(C)Cc2ccc(O)c(C3CC3)c2)c1
InChIInChI=1S/C25H31NO3/c1-4-18(3)29-22-7-5-6-19(15-22)12-13-26-25(28)17(2)14-20-8-11-24(27)23(16-20)21-9-10-21/h5-8,11,15-18,21H,3-4,9-10,12-14H2,1-2H3,(H-,26,27,28)/p+1
InChIKeySGYRQNPBBDGANI-UHFFFAOYSA-O
XLogP4.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 112529616
2-cyclopentyl-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110355667
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide
CID 126657315
2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 114009269
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 110416576
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide?
The IUPAC name of N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide (CID 91272762) is N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide is [CH2+]C(CC)Oc1cccc(CCNC(=O)C(C)Cc2ccc(O)c(C3CC3)c2)c1.
What is the InChIKey of N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide?
The InChIKey is SGYRQNPBBDGANI-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H31NO3/c1-4-18(3)29-22-7-5-6-19(15-22)12-13-26-25(28)17(2)14-20-8-11-24(27)23(16-20)21-9-10-21/h5-8,11,15-18,21H,3-4,9-10,12-14H2,1-2H3,(H-,26,27,28)/p+1.
What are the key properties of N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide?
N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide has a molecular weight of 394.54 g/mol, XLogP of 4.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 91272762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).